lukasplevac/easyconfigs-it4i
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easyconfigs-it4i/m/MRCC/mrcc_files/2/BASIS/Na
Lukas Krupcik eb1ea94130 merge master
2024-07-25 10:27:17 +02:00

2854 lines
310 KiB
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Executable File
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Na:cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
4 3 1
12 8 1
31700.000000000000 4755.000000000000 1082.000000000000 306.400000000000 99.530000000000 35.420000000000 13.300000000000 4.392000000000 1.676000000000 0.588900000000 0.056400000000 0.023070000000
0.000458900000 -0.000112200000 0.000017000000 0.000000000000
0.003550700000 -0.000868500000 0.000130700000 0.000000000000
0.018261800000 -0.004513300000 0.000687800000 0.000000000000
0.071665000000 -0.018143600000 0.002723600000 0.000000000000
0.212346000000 -0.058079900000 0.008955300000 0.000000000000
0.416203000000 -0.137653000000 0.020783200000 0.000000000000
0.373020000000 -0.193908000000 0.031938000000 0.000000000000
0.062505400000 0.085800900000 -0.019136800000 0.000000000000
-0.006245300000 0.604419000000 -0.102595000000 0.000000000000
0.002433700000 0.441719000000 -0.198945000000 0.000000000000
-0.000442400000 0.013054700000 0.655952000000 0.000000000000
0.000241900000 -0.005680900000 0.431153000000 1.000000000000
138.100000000000 32.240000000000 9.985000000000 3.484000000000 1.231000000000 0.417700000000 0.065130000000 0.020530000000
0.005796400000 -0.000581500000 0.000000000000
0.041575600000 -0.004073100000 0.000000000000
0.162873000000 -0.016793700000 0.000000000000
0.359401000000 -0.035326800000 0.000000000000
0.449988000000 -0.052197100000 0.000000000000
0.227507000000 -0.016835900000 0.000000000000
0.008082500000 0.434613000000 0.000000000000
-0.001962900000 0.658218000000 1.000000000000
0.097300000000
1.000000000000
Na:cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
5 4 2 1
16 10 2 1
423000.000000000000 63340.000000000000 14410.000000000000 4077.000000000000 1328.000000000000 478.600000000000 186.200000000000 76.920000000000 33.320000000000 15.000000000000 6.869000000000 2.683000000000 1.109000000000 0.454000000000 0.060150000000 0.023820000000
0.000018100000 -0.000004400000 0.000000700000 0.000000000000 0.000000000000
0.000140400000 -0.000034300000 0.000005200000 0.000000000000 0.000000000000
0.000738400000 -0.000180100000 0.000027100000 0.000000000000 0.000000000000
0.003111800000 -0.000763900000 0.000114600000 0.000000000000 0.000000000000
0.011208100000 -0.002752500000 0.000415100000 0.000000000000 0.000000000000
0.035282800000 -0.008860200000 0.001329800000 0.000000000000 0.000000000000
0.095989700000 -0.024793900000 0.003756000000 0.000000000000 0.000000000000
0.213735000000 -0.060599500000 0.009140300000 0.000000000000 0.000000000000
0.348688000000 -0.116446000000 0.017985900000 0.000000000000 0.000000000000
0.324566000000 -0.162437000000 0.025147700000 0.000000000000 0.000000000000
0.112633000000 -0.043889100000 0.007635200000 0.000000000000 0.000000000000
0.007068000000 0.337917000000 -0.061458900000 0.000000000000 0.000000000000
0.000598000000 0.561347000000 -0.115721000000 0.000000000000 0.000000000000
0.000204100000 0.245240000000 -0.158906000000 1.000000000000 0.000000000000
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0.000001800000 -0.001267500000 0.475402000000 0.000000000000 1.000000000000
243.300000000000 57.390000000000 18.100000000000 6.575000000000 2.521000000000 0.960700000000 0.351200000000 0.098270000000 0.037340000000 0.015000000000
0.002243900000 -0.000222400000 0.000000000000 0.000000000000
0.017399700000 -0.001742800000 0.000000000000 0.000000000000
0.077412500000 -0.007754600000 0.000000000000 0.000000000000
0.219102000000 -0.022518700000 0.000000000000 0.000000000000
0.378522000000 -0.038433000000 0.000000000000 0.000000000000
0.394902000000 -0.045017700000 0.000000000000 0.000000000000
0.160424000000 -0.019213200000 0.000000000000 0.000000000000
0.002333100000 0.182697000000 0.000000000000 0.000000000000
0.001995400000 0.557897000000 1.000000000000 0.000000000000
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0.136700000000 0.063600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.139700000000
1.000000000000
Na:cc-pVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
6 5 3 2 1
19 12 3 2 1
1224000.000000000000 183200.000000000000 41700.000000000000 11810.000000000000 3853.000000000000 1391.000000000000 542.500000000000 224.900000000000 97.930000000000 44.310000000000 20.650000000000 9.729000000000 4.228000000000 1.969000000000 0.889000000000 0.396400000000 0.069930000000 0.032890000000 0.016120000000
0.000004800000 -0.000001200000 0.000000200000 0.000000000000 0.000000000000 0.000000000000
0.000037200000 -0.000009100000 0.000001400000 0.000000000000 0.000000000000 0.000000000000
0.000195800000 -0.000047800000 0.000007200000 0.000000000000 0.000000000000 0.000000000000
0.000826700000 -0.000202000000 0.000030300000 0.000000000000 0.000000000000 0.000000000000
0.003002500000 -0.000735800000 0.000110800000 0.000000000000 0.000000000000 0.000000000000
0.009703100000 -0.002387500000 0.000358600000 0.000000000000 0.000000000000 0.000000000000
0.028233700000 -0.007049700000 0.001062700000 0.000000000000 0.000000000000 0.000000000000
0.073205800000 -0.018785600000 0.002826900000 0.000000000000 0.000000000000 0.000000000000
0.162897000000 -0.044615300000 0.006767400000 0.000000000000 0.000000000000 0.000000000000
0.288708000000 -0.089774100000 0.013648000000 0.000000000000 0.000000000000 0.000000000000
0.346829000000 -0.142940000000 0.022281400000 0.000000000000 0.000000000000 0.000000000000
0.206865000000 -0.124315000000 0.019601100000 0.000000000000 0.000000000000 0.000000000000
0.032800900000 0.099964800000 -0.016770800000 0.000000000000 0.000000000000 0.000000000000
-0.000647700000 0.417080000000 -0.077373400000 0.000000000000 0.000000000000 0.000000000000
0.001458800000 0.475123000000 -0.113501000000 0.000000000000 0.000000000000 0.000000000000
-0.000178300000 0.163268000000 -0.139130000000 0.000000000000 0.000000000000 0.000000000000
0.000091500000 0.003095400000 0.440083000000 1.000000000000 0.000000000000 0.000000000000
-0.000082500000 -0.001552600000 0.538952000000 0.000000000000 1.000000000000 0.000000000000
0.000029200000 0.000557800000 0.133889000000 0.000000000000 0.000000000000 1.000000000000
413.400000000000 97.980000000000 31.370000000000 11.620000000000 4.671000000000 1.918000000000 0.777500000000 0.301300000000 0.227500000000 0.075270000000 0.031260000000 0.013420000000
0.000908200000 -0.000090200000 0.000000000000 0.000000000000 0.000000000000
0.007417700000 -0.000739300000 0.000000000000 0.000000000000 0.000000000000
0.035746400000 -0.003573100000 0.000000000000 0.000000000000 0.000000000000
0.118520000000 -0.012014200000 0.000000000000 0.000000000000 0.000000000000
0.261403000000 -0.026717800000 0.000000000000 0.000000000000 0.000000000000
0.378395000000 -0.039275300000 0.000000000000 0.000000000000 0.000000000000
0.334632000000 -0.037608300000 0.000000000000 0.000000000000 0.000000000000
0.126844000000 -0.043322800000 0.000000000000 0.000000000000 0.000000000000
-0.014711700000 0.051800300000 0.000000000000 0.000000000000 0.000000000000
0.005686500000 0.260194000000 1.000000000000 0.000000000000 0.000000000000
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0.000547100000 0.281872000000 0.000000000000 0.000000000000 1.000000000000
0.153800000000 0.086500000000 0.048700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.191200000000 0.103600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.172200000000
1.000000000000
Na:cc-pV5Z
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
7 6 4 3 2 1
19 12 4 3 2 1
1224000.000000000000 183200.000000000000 41700.000000000000 11810.000000000000 3853.000000000000 1391.000000000000 542.500000000000 224.900000000000 97.930000000000 44.310000000000 20.650000000000 9.729000000000 4.228000000000 1.969000000000 0.889000000000 0.396400000000 0.069930000000 0.032890000000 0.016120000000
0.000005000000 -0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000037000000 -0.000009000000 0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000196000000 -0.000048000000 0.000007000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000827000000 -0.000202000000 0.000030000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003003000000 -0.000736000000 0.000111000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009703000000 -0.002387000000 0.000359000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028234000000 -0.007050000000 0.001063000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073206000000 -0.018786000000 0.002827000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162897000000 -0.044615000000 0.006767000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288708000000 -0.089774000000 0.013648000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.346829000000 -0.142940000000 0.022281000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.206865000000 -0.124315000000 0.019601000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032801000000 0.099965000000 -0.016771000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.001459000000 0.475123000000 -0.113501000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000091000000 0.003095000000 0.440083000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
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0.000029000000 0.000558000000 0.133889000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
413.400000000000 97.980000000000 31.370000000000 11.620000000000 4.671000000000 1.918000000000 0.777500000000 0.301300000000 0.227500000000 0.075270000000 0.031260000000 0.013420000000
0.000908000000 -0.000090000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007418000000 -0.000739000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035746000000 -0.003573000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118520000000 -0.012014000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261403000000 -0.026718000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378395000000 -0.039275000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.334632000000 -0.037608000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.126844000000 -0.043323000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.014712000000 0.051800000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005686000000 0.260194000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
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0.000547000000 0.281872000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.273400000000 0.153800000000 0.086500000000 0.048700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.400000000000 0.191200000000 0.103600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.425000000000 0.172200000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.200000000000
1.000000000000
Na:cc-pCVDZ
Dunning's correlation consistent basis set
3
0 1 2
5 4 2
13 9 2
31700.000000000000 4755.000000000000 1082.000000000000 306.400000000000 99.530000000000 35.420000000000 13.300000000000 4.392000000000 1.676000000000 0.588900000000 0.056400000000 0.023070000000 0.704000000000
0.000458900000 -0.000112200000 0.000017000000 0.000000000000 0.000000000000
0.003550700000 -0.000868500000 0.000130700000 0.000000000000 0.000000000000
0.018261800000 -0.004513300000 0.000687800000 0.000000000000 0.000000000000
0.071665000000 -0.018143600000 0.002723600000 0.000000000000 0.000000000000
0.212346000000 -0.058079900000 0.008955300000 0.000000000000 0.000000000000
0.416203000000 -0.137653000000 0.020783200000 0.000000000000 0.000000000000
0.373020000000 -0.193908000000 0.031938000000 0.000000000000 0.000000000000
0.062505400000 0.085800900000 -0.019136800000 0.000000000000 0.000000000000
-0.006245300000 0.604419000000 -0.102595000000 0.000000000000 0.000000000000
0.002433700000 0.441719000000 -0.198945000000 0.000000000000 0.000000000000
-0.000442400000 0.013054700000 0.655952000000 0.000000000000 0.000000000000
0.000241900000 -0.005680900000 0.431153000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
138.100000000000 32.240000000000 9.985000000000 3.484000000000 1.231000000000 0.417700000000 0.065130000000 0.020530000000 0.761000000000
0.005796400000 -0.000581500000 0.000000000000 0.000000000000
0.041575600000 -0.004073100000 0.000000000000 0.000000000000
0.162873000000 -0.016793700000 0.000000000000 0.000000000000
0.359401000000 -0.035326800000 0.000000000000 0.000000000000
0.449988000000 -0.052197100000 0.000000000000 0.000000000000
0.227507000000 -0.016835900000 0.000000000000 0.000000000000
0.008082500000 0.434613000000 0.000000000000 0.000000000000
-0.001962900000 0.658218000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.097300000000 2.949000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:cc-pCVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
7 6 4 2
18 12 4 2
423000.000000000000 63340.000000000000 14410.000000000000 4077.000000000000 1328.000000000000 478.600000000000 186.200000000000 76.920000000000 33.320000000000 15.000000000000 6.869000000000 2.683000000000 1.109000000000 0.454000000000 0.060150000000 0.023820000000 4.189000000000 0.626000000000
0.000018100000 -0.000004400000 0.000000700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000140400000 -0.000034300000 0.000005200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000738400000 -0.000180100000 0.000027100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003111800000 -0.000763900000 0.000114600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011208100000 -0.002752500000 0.000415100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035282800000 -0.008860200000 0.001329800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.095989700000 -0.024793900000 0.003756000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213735000000 -0.060599500000 0.009140300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348688000000 -0.116446000000 0.017985900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.324566000000 -0.162437000000 0.025147700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.112633000000 -0.043889100000 0.007635200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007068000000 0.337917000000 -0.061458900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000598000000 0.561347000000 -0.115721000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000204100000 0.245240000000 -0.158906000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000001800000 -0.001267500000 0.475402000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
243.300000000000 57.390000000000 18.100000000000 6.575000000000 2.521000000000 0.960700000000 0.351200000000 0.098270000000 0.037340000000 0.015000000000 1.569000000000 0.512000000000
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0.017399700000 -0.001742800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.077412500000 -0.007754600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.219102000000 -0.022518700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378522000000 -0.038433000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.394902000000 -0.045017700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.160424000000 -0.019213200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002333100000 0.182697000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001995400000 0.557897000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.136700000000 0.063600000000 5.404000000000 1.530000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.139700000000 3.465000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:cc-pCVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
9 8 6 4 2
22 15 6 4 2
1224000.000000000000 183200.000000000000 41700.000000000000 11810.000000000000 3853.000000000000 1391.000000000000 542.500000000000 224.900000000000 97.930000000000 44.310000000000 20.650000000000 9.729000000000 4.228000000000 1.969000000000 0.889000000000 0.396400000000 0.069930000000 0.032890000000 0.016120000000 24.282000000000 4.874000000000 0.978000000000
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0.000037200000 -0.000009100000 0.000001400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000195800000 -0.000047800000 0.000007200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000826700000 -0.000202000000 0.000030300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003002500000 -0.000735800000 0.000110800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009703100000 -0.002387500000 0.000358600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028233700000 -0.007049700000 0.001062700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073205800000 -0.018785600000 0.002826900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162897000000 -0.044615300000 0.006767400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288708000000 -0.089774100000 0.013648000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.346829000000 -0.142940000000 0.022281400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.206865000000 -0.124315000000 0.019601100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032800900000 0.099964800000 -0.016770800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.153800000000 0.086500000000 0.048700000000 8.606000000000 3.137000000000 1.144000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.191200000000 0.103600000000 6.258000000000 2.173000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.172200000000 4.097000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:cc-pCV5Z
Dunning's correlation consistent basis set
6
0 1 2 3 4 5
11 10 8 6 4 2
23 16 8 6 4 2
1224000.000000000000 183200.000000000000 41700.000000000000 11810.000000000000 3853.000000000000 1391.000000000000 542.500000000000 224.900000000000 97.930000000000 44.310000000000 20.650000000000 9.729000000000 4.228000000000 1.969000000000 0.889000000000 0.396400000000 0.069930000000 0.032890000000 0.016120000000 157.489000000000 27.927000000000 4.952000000000 0.878000000000
0.000005000000 -0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000037000000 -0.000009000000 0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000196000000 -0.000048000000 0.000007000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000827000000 -0.000202000000 0.000030000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003003000000 -0.000736000000 0.000111000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009703000000 -0.002387000000 0.000359000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028234000000 -0.007050000000 0.001063000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073206000000 -0.018786000000 0.002827000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162897000000 -0.044615000000 0.006767000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288708000000 -0.089774000000 0.013648000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.346829000000 -0.142940000000 0.022281000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.206865000000 -0.124315000000 0.019601000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032801000000 0.099965000000 -0.016771000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000648000000 0.417080000000 -0.077373000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001459000000 0.475123000000 -0.113501000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000178000000 0.163268000000 -0.139130000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000091000000 0.003095000000 0.440083000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000083000000 -0.001553000000 0.538952000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000029000000 0.000558000000 0.133889000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
413.400000000000 97.980000000000 31.370000000000 11.620000000000 4.671000000000 1.918000000000 0.777500000000 0.301300000000 0.227500000000 0.075270000000 0.031260000000 0.013420000000 9.869000000000 4.414000000000 1.974000000000 0.883000000000
0.000908000000 -0.000090000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007418000000 -0.000739000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035746000000 -0.003573000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118520000000 -0.012014000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261403000000 -0.026718000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378395000000 -0.039275000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.334632000000 -0.037608000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.126844000000 -0.043323000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.014712000000 0.051800000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005686000000 0.260194000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.001710000000 0.549681000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000547000000 0.281872000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.273400000000 0.153800000000 0.086500000000 0.048700000000 14.401000000000 6.184000000000 2.656000000000 1.140000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.400000000000 0.191200000000 0.103600000000 10.524000000000 4.405000000000 1.844000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.425000000000 0.172200000000 7.326000000000 2.727000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.200000000000 5.133000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:aug-cc-pVDZ
Dunning's correlation consistent basis set
3
0 1 2
5 4 2
13 9 2
31700.000000000000 4755.000000000000 1082.000000000000 306.400000000000 99.530000000000 35.420000000000 13.300000000000 4.392000000000 1.676000000000 0.588900000000 0.056400000000 0.023070000000 0.007250000000
0.000458880000 -0.000112160000 0.000017016000 0.000000000000 0.000000000000
0.003550700000 -0.000868510000 0.000130690000 0.000000000000 0.000000000000
0.018262000000 -0.004513300000 0.000687780000 0.000000000000 0.000000000000
0.071665000000 -0.018144000000 0.002723600000 0.000000000000 0.000000000000
0.212350000000 -0.058080000000 0.008955300000 0.000000000000 0.000000000000
0.416200000000 -0.137650000000 0.020783000000 0.000000000000 0.000000000000
0.373020000000 -0.193910000000 0.031938000000 0.000000000000 0.000000000000
0.062505000000 0.085801000000 -0.019137000000 0.000000000000 0.000000000000
-0.006245300000 0.604420000000 -0.102600000000 0.000000000000 0.000000000000
0.002433700000 0.441720000000 -0.198940000000 0.000000000000 0.000000000000
-0.000442380000 0.013055000000 0.655950000000 0.000000000000 0.000000000000
0.000241920000 -0.005680800000 0.431150000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
138.100000000000 32.240000000000 9.985000000000 3.484000000000 1.231000000000 0.417700000000 0.065130000000 0.020530000000 0.006330000000
0.005796400000 -0.000581530000 0.000000000000 0.000000000000
0.041576000000 -0.004073100000 0.000000000000 0.000000000000
0.162870000000 -0.016794000000 0.000000000000 0.000000000000
0.359400000000 -0.035327000000 0.000000000000 0.000000000000
0.449990000000 -0.052197000000 0.000000000000 0.000000000000
0.227510000000 -0.016836000000 0.000000000000 0.000000000000
0.008082500000 0.434610000000 0.000000000000 0.000000000000
-0.001962900000 0.658220000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.097300000000 0.046800000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:aug-cc-pVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
6 5 3 2
17 11 3 2
423000.000000000000 63340.000000000000 14410.000000000000 4077.000000000000 1328.000000000000 478.600000000000 186.200000000000 76.920000000000 33.320000000000 15.000000000000 6.869000000000 2.683000000000 1.109000000000 0.454000000000 0.060150000000 0.023820000000 0.006650000000
0.000018062000 -0.000004406500 0.000000663020 0.000000000000 0.000000000000 0.000000000000
0.000140430000 -0.000034344000 0.000005157700 0.000000000000 0.000000000000 0.000000000000
0.000738440000 -0.000180110000 0.000027125000 0.000000000000 0.000000000000 0.000000000000
0.003111800000 -0.000763900000 0.000114640000 0.000000000000 0.000000000000 0.000000000000
0.011208000000 -0.002752500000 0.000415120000 0.000000000000 0.000000000000 0.000000000000
0.035283000000 -0.008860200000 0.001329800000 0.000000000000 0.000000000000 0.000000000000
0.095990000000 -0.024794000000 0.003756000000 0.000000000000 0.000000000000 0.000000000000
0.213740000000 -0.060600000000 0.009140200000 0.000000000000 0.000000000000 0.000000000000
0.348690000000 -0.116450000000 0.017986000000 0.000000000000 0.000000000000 0.000000000000
0.324570000000 -0.162440000000 0.025148000000 0.000000000000 0.000000000000 0.000000000000
0.112630000000 -0.043889000000 0.007635200000 0.000000000000 0.000000000000 0.000000000000
0.007068000000 0.337920000000 -0.061459000000 0.000000000000 0.000000000000 0.000000000000
0.000598010000 0.561350000000 -0.115720000000 0.000000000000 0.000000000000 0.000000000000
0.000204130000 0.245240000000 -0.158910000000 1.000000000000 0.000000000000 0.000000000000
-0.000005308700 0.004067500000 0.626410000000 0.000000000000 0.000000000000 0.000000000000
0.000001826000 -0.001267500000 0.475400000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
243.300000000000 57.390000000000 18.100000000000 6.575000000000 2.521000000000 0.960700000000 0.351200000000 0.098270000000 0.037340000000 0.015000000000 0.007000000000
0.002243900000 -0.000222400000 0.000000000000 0.000000000000 0.000000000000
0.017400000000 -0.001742800000 0.000000000000 0.000000000000 0.000000000000
0.077412000000 -0.007754600000 0.000000000000 0.000000000000 0.000000000000
0.219100000000 -0.022519000000 0.000000000000 0.000000000000 0.000000000000
0.378520000000 -0.038433000000 0.000000000000 0.000000000000 0.000000000000
0.394900000000 -0.045018000000 0.000000000000 0.000000000000 0.000000000000
0.160420000000 -0.019213000000 0.000000000000 0.000000000000 0.000000000000
0.002333100000 0.182700000000 0.000000000000 0.000000000000 0.000000000000
0.001995400000 0.557900000000 1.000000000000 0.000000000000 0.000000000000
-0.000777340000 0.373020000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.136700000000 0.063600000000 0.022300000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.139700000000 0.071400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:aug-cc-pVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
7 6 4 3 2
20 13 4 3 2
1224000.000000000000 183200.000000000000 41700.000000000000 11810.000000000000 3853.000000000000 1391.000000000000 542.500000000000 224.900000000000 97.930000000000 44.310000000000 20.650000000000 9.729000000000 4.228000000000 1.969000000000 0.889000000000 0.396400000000 0.069930000000 0.032890000000 0.016120000000 0.005030000000
0.000004788900 -0.000001169600 0.000000175870 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000037240000 -0.000009091100 0.000001365900 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000195830000 -0.000047850000 0.000007198000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000826700000 -0.000201960000 0.000030335000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003002500000 -0.000735840000 0.000110750000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009703100000 -0.002387500000 0.000358600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028234000000 -0.007049700000 0.001062700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073206000000 -0.018786000000 0.002826900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162900000000 -0.044615000000 0.006767400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288710000000 -0.089774000000 0.013648000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.346830000000 -0.142940000000 0.022281000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.206860000000 -0.124320000000 0.019601000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032801000000 0.099965000000 -0.016771000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000647740000 0.417080000000 -0.077373000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001458800000 0.475120000000 -0.113500000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000178350000 0.163270000000 -0.139130000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000091479000 0.003095400000 0.440080000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000082518000 -0.001552600000 0.538950000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000029225000 0.000557760000 0.133890000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
413.400000000000 97.980000000000 31.370000000000 11.620000000000 4.671000000000 1.918000000000 0.777500000000 0.301300000000 0.227500000000 0.075270000000 0.031260000000 0.013420000000 0.007720000000
0.000908200000 -0.000090174000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007417700000 -0.000739340000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035746000000 -0.003573100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118520000000 -0.012014000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261400000000 -0.026718000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378400000000 -0.039275000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.334630000000 -0.037608000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.126840000000 -0.043323000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.014712000000 0.051800000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005686500000 0.260190000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.001709700000 0.549680000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000547140000 0.281870000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.153800000000 0.086500000000 0.048700000000 0.021000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.191200000000 0.103600000000 0.045300000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.172200000000 0.086600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:aug-cc-pCVDZ
Dunning's correlation consistent basis set
3
0 1 2
6 5 3
14 10 3
31700.000000000000 4755.000000000000 1082.000000000000 306.400000000000 99.530000000000 35.420000000000 13.300000000000 4.392000000000 1.676000000000 0.588900000000 0.056400000000 0.023070000000 0.704000000000 0.007250000000
0.000458880000 -0.000112160000 0.000017016000 0.000000000000 0.000000000000 0.000000000000
0.003550700000 -0.000868510000 0.000130690000 0.000000000000 0.000000000000 0.000000000000
0.018262000000 -0.004513300000 0.000687780000 0.000000000000 0.000000000000 0.000000000000
0.071665000000 -0.018144000000 0.002723600000 0.000000000000 0.000000000000 0.000000000000
0.212350000000 -0.058080000000 0.008955300000 0.000000000000 0.000000000000 0.000000000000
0.416200000000 -0.137650000000 0.020783000000 0.000000000000 0.000000000000 0.000000000000
0.373020000000 -0.193910000000 0.031938000000 0.000000000000 0.000000000000 0.000000000000
0.062505000000 0.085801000000 -0.019137000000 0.000000000000 0.000000000000 0.000000000000
-0.006245300000 0.604420000000 -0.102600000000 0.000000000000 0.000000000000 0.000000000000
0.002433700000 0.441720000000 -0.198940000000 0.000000000000 0.000000000000 0.000000000000
-0.000442380000 0.013055000000 0.655950000000 0.000000000000 0.000000000000 0.000000000000
0.000241920000 -0.005680800000 0.431150000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
138.100000000000 32.240000000000 9.985000000000 3.484000000000 1.231000000000 0.417700000000 0.065130000000 0.020530000000 0.761000000000 0.006330000000
0.005796400000 -0.000581530000 0.000000000000 0.000000000000 0.000000000000
0.041576000000 -0.004073100000 0.000000000000 0.000000000000 0.000000000000
0.162870000000 -0.016794000000 0.000000000000 0.000000000000 0.000000000000
0.359400000000 -0.035327000000 0.000000000000 0.000000000000 0.000000000000
0.449990000000 -0.052197000000 0.000000000000 0.000000000000 0.000000000000
0.227510000000 -0.016836000000 0.000000000000 0.000000000000 0.000000000000
0.008082500000 0.434610000000 0.000000000000 0.000000000000 0.000000000000
-0.001962900000 0.658220000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.097300000000 2.949000000000 0.046800000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:aug-cc-pCVTZ
Dunning's correlation consistent basis set
4
0 1 2 3
8 7 5 3
19 13 5 3
423000.000000000000 63340.000000000000 14410.000000000000 4077.000000000000 1328.000000000000 478.600000000000 186.200000000000 76.920000000000 33.320000000000 15.000000000000 6.869000000000 2.683000000000 1.109000000000 0.454000000000 0.060150000000 0.023820000000 4.189000000000 0.626000000000 0.006650000000
0.000018062000 -0.000004406500 0.000000663020 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000140430000 -0.000034344000 0.000005157700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000738440000 -0.000180110000 0.000027125000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003111800000 -0.000763900000 0.000114640000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.011208000000 -0.002752500000 0.000415120000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035283000000 -0.008860200000 0.001329800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.095990000000 -0.024794000000 0.003756000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213740000000 -0.060600000000 0.009140200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.348690000000 -0.116450000000 0.017986000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.324570000000 -0.162440000000 0.025148000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.112630000000 -0.043889000000 0.007635200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007068000000 0.337920000000 -0.061459000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000598010000 0.561350000000 -0.115720000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000204130000 0.245240000000 -0.158910000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000005308700 0.004067500000 0.626410000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000001826000 -0.001267500000 0.475400000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
243.300000000000 57.390000000000 18.100000000000 6.575000000000 2.521000000000 0.960700000000 0.351200000000 0.098270000000 0.037340000000 0.015000000000 1.569000000000 0.512000000000 0.007000000000
0.002243900000 -0.000222400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017400000000 -0.001742800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.077412000000 -0.007754600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.219100000000 -0.022519000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378520000000 -0.038433000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.394900000000 -0.045018000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.160420000000 -0.019213000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002333100000 0.182700000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001995400000 0.557900000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000777340000 0.373020000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.136700000000 0.063600000000 5.404000000000 1.530000000000 0.022300000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.139700000000 3.465000000000 0.071400000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:aug-cc-pCVQZ
Dunning's correlation consistent basis set
5
0 1 2 3 4
10 9 7 5 3
23 16 7 5 3
1224000.000000000000 183200.000000000000 41700.000000000000 11810.000000000000 3853.000000000000 1391.000000000000 542.500000000000 224.900000000000 97.930000000000 44.310000000000 20.650000000000 9.729000000000 4.228000000000 1.969000000000 0.889000000000 0.396400000000 0.069930000000 0.032890000000 0.016120000000 24.282000000000 4.874000000000 0.978000000000 0.005030000000
0.000004788900 -0.000001169600 0.000000175870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000037240000 -0.000009091100 0.000001365900 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000195830000 -0.000047850000 0.000007198000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000826700000 -0.000201960000 0.000030335000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003002500000 -0.000735840000 0.000110750000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009703100000 -0.002387500000 0.000358600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028234000000 -0.007049700000 0.001062700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073206000000 -0.018786000000 0.002826900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162900000000 -0.044615000000 0.006767400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288710000000 -0.089774000000 0.013648000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.346830000000 -0.142940000000 0.022281000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.206860000000 -0.124320000000 0.019601000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032801000000 0.099965000000 -0.016771000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000647740000 0.417080000000 -0.077373000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001458800000 0.475120000000 -0.113500000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000178350000 0.163270000000 -0.139130000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000091479000 0.003095400000 0.440080000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000082518000 -0.001552600000 0.538950000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000029225000 0.000557760000 0.133890000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
413.400000000000 97.980000000000 31.370000000000 11.620000000000 4.671000000000 1.918000000000 0.777500000000 0.301300000000 0.227500000000 0.075270000000 0.031260000000 0.013420000000 4.466000000000 1.689000000000 0.638000000000 0.007720000000
0.000908200000 -0.000090174000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007417700000 -0.000739340000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035746000000 -0.003573100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118520000000 -0.012014000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261400000000 -0.026718000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378400000000 -0.039275000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.334630000000 -0.037608000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.126840000000 -0.043323000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.014712000000 0.051800000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.005686500000 0.260190000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.001709700000 0.549680000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000547140000 0.281870000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.153800000000 0.086500000000 0.048700000000 8.606000000000 3.137000000000 1.144000000000 0.021000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.191200000000 0.103600000000 6.258000000000 2.173000000000 0.045300000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.172200000000 4.097000000000 0.086600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:cc-pVDZ-F12
Peterson's F12 basis set
3
0 1 2
6 6 3
17 13 3
423000.000000000000 63340.000000000000 14410.000000000000 4077.000000000000 1328.000000000000 478.600000000000 186.200000000000 76.920000000000 33.320000000000 15.000000000000 6.869000000000 2.683000000000 1.109000000000 0.060150000000 0.454000000000 0.023820000000 0.006700000000
0.000018100000 -0.000004400000 0.000000700000 0.000000000000 0.000000000000 0.000000000000
0.000140400000 -0.000034300000 0.000005200000 0.000000000000 0.000000000000 0.000000000000
0.000738400000 -0.000180100000 0.000027100000 0.000000000000 0.000000000000 0.000000000000
0.003111800000 -0.000763900000 0.000114600000 0.000000000000 0.000000000000 0.000000000000
0.011208100000 -0.002752500000 0.000415100000 0.000000000000 0.000000000000 0.000000000000
0.035282800000 -0.008860200000 0.001329800000 0.000000000000 0.000000000000 0.000000000000
0.095989700000 -0.024793900000 0.003756000000 0.000000000000 0.000000000000 0.000000000000
0.213735000000 -0.060599500000 0.009140300000 0.000000000000 0.000000000000 0.000000000000
0.348688000000 -0.116446000000 0.017985900000 0.000000000000 0.000000000000 0.000000000000
0.324566000000 -0.162437000000 0.025147700000 0.000000000000 0.000000000000 0.000000000000
0.112633000000 -0.043889100000 0.007635200000 0.000000000000 0.000000000000 0.000000000000
0.007068000000 0.337917000000 -0.061458900000 0.000000000000 0.000000000000 0.000000000000
0.000598000000 0.561347000000 -0.115721000000 0.000000000000 0.000000000000 0.000000000000
-0.000005300000 0.004067500000 0.626406000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
243.300000000000 57.390000000000 18.100000000000 6.575000000000 2.521000000000 0.960700000000 0.351200000000 0.098270000000 0.037340000000 0.015000000000 0.006000000000 3.334286000000 0.088362000000
0.002243900000 -0.000222400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.017399700000 -0.001742800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.077412500000 -0.007754600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.219102000000 -0.022518700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378522000000 -0.038433000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.394902000000 -0.045017700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.160424000000 -0.019213200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002333100000 0.182697000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001995400000 0.557897000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.896311000000 0.110745000000 0.056176000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:cc-pVTZ-F12
Peterson's F12 basis set
4
0 1 2 3
7 7 4 2
20 14 4 2
1224000.000000000000 183200.000000000000 41700.000000000000 11810.000000000000 3853.000000000000 1391.000000000000 542.500000000000 224.900000000000 97.930000000000 44.310000000000 20.650000000000 9.729000000000 4.228000000000 1.969000000000 0.889000000000 0.396400000000 0.069930000000 0.032890000000 0.016120000000 0.005000000000
0.000004800000 -0.000001200000 0.000000200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000037200000 -0.000009100000 0.000001400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000195800000 -0.000047800000 0.000007200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000826700000 -0.000202000000 0.000030300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003002500000 -0.000735800000 0.000110800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009703100000 -0.002387500000 0.000358600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.028233700000 -0.007049700000 0.001062700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.073205800000 -0.018785600000 0.002826900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162897000000 -0.044615300000 0.006767400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.288708000000 -0.089774100000 0.013648000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.346829000000 -0.142940000000 0.022281400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.206865000000 -0.124315000000 0.019601100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.032800900000 0.099964800000 -0.016770800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000647700000 0.417080000000 -0.077373400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001458800000 0.475123000000 -0.113501000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000178300000 0.163268000000 -0.139130000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
413.400000000000 97.980000000000 31.370000000000 11.620000000000 4.671000000000 1.918000000000 0.777500000000 0.301300000000 0.227500000000 0.075270000000 0.031260000000 0.013420000000 0.007200000000 0.796814000000
0.000908200000 -0.000090200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007417700000 -0.000739300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.035746400000 -0.003573100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.118520000000 -0.012014200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.261403000000 -0.026717800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.378395000000 -0.039275300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.334632000000 -0.037608300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.126844000000 -0.043322800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.014711700000 0.051800300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.145665000000 0.051789000000 0.091634000000 0.162136000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.134197000000 0.069524000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:cc-pVQZ-F12
Peterson's F12 basis set
5
0 1 2 3 4
8 8 5 3 2
21 15 5 3 2
2185572.000000000000 327228.400000000023 74466.839999999997 21093.150000000001 6881.898000000000 2484.696000000000 969.223200000000 402.064300000000 175.354500000000 79.651990000000 37.386720000000 18.001940000000 8.724371000000 3.857715000000 1.815686000000 0.838254000000 0.381935000000 0.071679000000 0.033916000000 0.016525000000 0.005100000000
0.000002000000 -0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000018000000 -0.000004000000 0.000001000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000095000000 -0.000023000000 0.000003000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000401000000 -0.000098000000 0.000015000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001459000000 -0.000357000000 0.000054000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004746000000 -0.001165000000 0.000175000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.014031000000 -0.003464000000 0.000520000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.037733000000 -0.009495000000 0.001431000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.090702000000 -0.023587000000 0.003554000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.186466000000 -0.052394000000 0.007954000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.301837000000 -0.098028000000 0.014955000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.323830000000 -0.143673000000 0.022472000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.168700000000 -0.102298000000 0.016205000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.023083000000 0.138029000000 -0.023550000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.000147000000 0.429006000000 -0.080120000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001099000000 0.447813000000 -0.112921000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1119.578000000000 265.323900000000 85.995530000000 32.537590000000 13.515650000000 5.966856000000 2.700045000000 1.218512000000 0.542187000000 0.227413000000 0.133040000000 0.057577000000 0.025971000000 0.011901000000 0.005500000000
0.000162000000 -0.000016000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001408000000 -0.000140000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007586000000 -0.000754000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.029615000000 -0.002968000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.088477000000 -0.008919000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.195519000000 -0.020029000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.306621000000 -0.031380000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.341242000000 -0.036489000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.229690000000 -0.029625000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.522314000000 0.235314000000 0.136141000000 0.078764000000 0.045569000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.181127000000 0.109200000000 0.065836000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.157858000000 0.091607000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:STO-3G
Pople's Gaussian basis set
2
0 1
3 2
9 6
250.772430000000 45.678511200000 12.362387800000 12.040192700000 2.797881900000 0.909958000000 1.478740600000 0.412564900000 0.161475100000
0.154329000000 0.000000000000 0.000000000000
0.535328100000 0.000000000000 0.000000000000
0.444634500000 0.000000000000 0.000000000000
0.000000000000 -0.099967200000 0.000000000000
0.000000000000 0.399512800000 0.000000000000
0.000000000000 0.700115500000 0.000000000000
0.000000000000 0.000000000000 -0.219620400000
0.000000000000 0.000000000000 0.225595400000
0.000000000000 0.000000000000 0.900398400000
12.040192700000 2.797881900000 0.909958000000 1.478740600000 0.412564900000 0.161475100000
0.155916300000 0.000000000000
0.607683700000 0.000000000000
0.391957400000 0.000000000000
0.000000000000 0.010587600000
0.000000000000 0.595167000000
0.000000000000 0.462001000000
Na:3-21G
Pople's Gaussian basis set
2
0 1
4 3
9 6
547.613000000000 82.067800000000 17.691700000000 17.540700000000 3.793980000000 0.906441000000 0.501824000000 0.060945800000 0.024434900000
0.067491100000 0.000000000000 0.000000000000 0.000000000000
0.393505000000 0.000000000000 0.000000000000 0.000000000000
0.665605000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.111937000000 0.000000000000 0.000000000000
0.000000000000 0.254654000000 0.000000000000 0.000000000000
0.000000000000 0.844417000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.219660000000 0.000000000000
0.000000000000 0.000000000000 1.089120000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.540700000000 3.793980000000 0.906441000000 0.501824000000 0.060945800000 0.024434900000
0.128233000000 0.000000000000 0.000000000000
0.471533000000 0.000000000000 0.000000000000
0.604273000000 0.000000000000 0.000000000000
0.000000000000 0.009066500000 0.000000000000
0.000000000000 0.997202000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:6-31G
Pople's Gaussian basis set
2
0 1
4 3
16 10
9993.200000000001 1499.890000000000 341.951000000000 94.679600000000 29.734500000000 10.006300000000 150.963000000000 35.587800000000 11.168300000000 3.902010000000 1.381770000000 0.466382000000 0.497966000000 0.084352900000 0.066635000000 0.025954400000
0.001937700000 0.000000000000 0.000000000000 0.000000000000
0.014807000000 0.000000000000 0.000000000000 0.000000000000
0.072705500000 0.000000000000 0.000000000000 0.000000000000
0.252629000000 0.000000000000 0.000000000000 0.000000000000
0.493242000000 0.000000000000 0.000000000000 0.000000000000
0.313169000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.003542100000 0.000000000000 0.000000000000
0.000000000000 -0.043958800000 0.000000000000 0.000000000000
0.000000000000 -0.109752000000 0.000000000000 0.000000000000
0.000000000000 0.187398000000 0.000000000000 0.000000000000
0.000000000000 0.646699000000 0.000000000000 0.000000000000
0.000000000000 0.306058000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.248503000000 0.000000000000
0.000000000000 0.000000000000 -0.131704000000 0.000000000000
0.000000000000 0.000000000000 1.233520000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
150.963000000000 35.587800000000 11.168300000000 3.902010000000 1.381770000000 0.466382000000 0.497966000000 0.084352900000 0.066635000000 0.025954400000
0.005001700000 0.000000000000 0.000000000000
0.035510900000 0.000000000000 0.000000000000
0.142825000000 0.000000000000 0.000000000000
0.338620000000 0.000000000000 0.000000000000
0.451579000000 0.000000000000 0.000000000000
0.273271000000 0.000000000000 0.000000000000
0.000000000000 -0.023022500000 0.000000000000
0.000000000000 0.950359000000 0.000000000000
0.000000000000 0.059857900000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:6-311G
Pople's Gaussian basis set
2
0 1
6 5
13 9
36166.400000000001 5372.580000000000 1213.210000000000 339.623000000000 109.553000000000 38.777300000000 38.777300000000 14.575900000000 5.269930000000 1.827770000000 0.619948000000 0.057240000000 0.024048000000
0.001032000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008071000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.042129000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.169789000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.514621000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.379817000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.374762000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.575769000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.112933000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
144.645000000000 33.907400000000 10.628500000000 3.823890000000 1.444290000000 0.552621000000 0.188720000000 0.046501000000 0.016285000000
0.011485000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.082383000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.319658000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.701295000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.638506000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.425365000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Na:6-31G*
Pople's Gaussian basis set
3
0 1 2
4 3 1
16 10 1
9993.200000000001 1499.890000000000 341.951000000000 94.679600000000 29.734500000000 10.006300000000 150.963000000000 35.587800000000 11.168300000000 3.902010000000 1.381770000000 0.466382000000 0.497966000000 0.084352900000 0.066635000000 0.025954400000
0.001937700000 0.000000000000 0.000000000000 0.000000000000
0.014807000000 0.000000000000 0.000000000000 0.000000000000
0.072705500000 0.000000000000 0.000000000000 0.000000000000
0.252629000000 0.000000000000 0.000000000000 0.000000000000
0.493242000000 0.000000000000 0.000000000000 0.000000000000
0.313169000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.003542100000 0.000000000000 0.000000000000
0.000000000000 -0.043958800000 0.000000000000 0.000000000000
0.000000000000 -0.109752000000 0.000000000000 0.000000000000
0.000000000000 0.187398000000 0.000000000000 0.000000000000
0.000000000000 0.646699000000 0.000000000000 0.000000000000
0.000000000000 0.306058000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.248503000000 0.000000000000
0.000000000000 0.000000000000 -0.131704000000 0.000000000000
0.000000000000 0.000000000000 1.233520000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
150.963000000000 35.587800000000 11.168300000000 3.902010000000 1.381770000000 0.466382000000 0.497966000000 0.084352900000 0.066635000000 0.025954400000
0.005001700000 0.000000000000 0.000000000000
0.035510900000 0.000000000000 0.000000000000
0.142825000000 0.000000000000 0.000000000000
0.338620000000 0.000000000000 0.000000000000
0.451579000000 0.000000000000 0.000000000000
0.273271000000 0.000000000000 0.000000000000
0.000000000000 -0.023022500000 0.000000000000
0.000000000000 0.950359000000 0.000000000000
0.000000000000 0.059857900000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.175000000000
1.000000000000
Na:6-311G*
Pople's Gaussian basis set
3
0 1 2
6 5 1
13 9 1
36166.400000000001 5372.580000000000 1213.210000000000 339.623000000000 109.553000000000 38.777300000000 38.777300000000 14.575900000000 5.269930000000 1.827770000000 0.619948000000 0.057240000000 0.024048000000
0.001032000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008071000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.042129000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.169789000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.514621000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.379817000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.374762000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.575769000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.112933000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
144.645000000000 33.907400000000 10.628500000000 3.823890000000 1.444290000000 0.552621000000 0.188720000000 0.046501000000 0.016285000000
0.011485000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.082383000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.319658000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.701295000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.638506000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.425365000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.175000000000
1.000000000000
Na:6-31+G*
Pople's Gaussian basis set
3
0 1 2
5 4 1
17 11 1
9993.200000000001 1499.890000000000 341.951000000000 94.679700000000 29.734500000000 10.006300000000 150.963000000000 35.587800000000 11.168300000000 3.902010000000 1.381770000000 0.466382000000 0.497966000000 0.084353000000 0.066635000000 0.025954400000 0.007600000000
0.001937700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.014807000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.072706000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.252629000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.493242000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.313169000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.003542100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.043959000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.109752100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.187398000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.646699000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.306058000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.248503000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.131704000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.233520000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
150.963000000000 35.587800000000 11.168300000000 3.902010000000 1.381770000000 0.466382000000 0.497966000000 0.084353000000 0.066635000000 0.025954400000 0.007600000000
0.005001700000 0.000000000000 0.000000000000 0.000000000000
0.035511000000 0.000000000000 0.000000000000 0.000000000000
0.142825000000 0.000000000000 0.000000000000 0.000000000000
0.338620000000 0.000000000000 0.000000000000 0.000000000000
0.451579000000 0.000000000000 0.000000000000 0.000000000000
0.273271000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.023023000000 0.000000000000 0.000000000000
0.000000000000 0.950359000000 0.000000000000 0.000000000000
0.000000000000 0.059858000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.175000000000
1.000000000000
Na:6-311+G*
Pople's Gaussian basis set
3
0 1 2
7 6 1
14 10 1
36166.400000000001 5372.580000000000 1213.210000000000 339.623000000000 109.553000000000 38.777300000000 38.777300000000 14.575900000000 5.269930000000 1.827770000000 0.619948000000 0.057240000000 0.024048000000 0.007600000000
0.001032000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.008071000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.042129000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.169789000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.514621000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.379817000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.374762000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.575769000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.112933000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
144.645000000000 33.907400000000 10.628500000000 3.823890000000 1.444290000000 0.552621000000 0.188720000000 0.046501000000 0.016285000000 0.007600000000
0.011485000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.082383000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.319658000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.701295000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.638506000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.425365000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.175000000000
1.000000000000
Na:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
4 2 1
10 6 1
4098.200390800000 616.493740310000 139.966440010000 39.073441051000 11.929847205000 20.659966030000 1.983886097800 0.648363239420 0.052443967404 0.028048160742
-0.005853591188 0.000000000000 0.000000000000 0.000000000000
-0.043647161872 0.000000000000 0.000000000000 0.000000000000
-0.194314658840 0.000000000000 0.000000000000 0.000000000000
-0.486850657310 0.000000000000 0.000000000000 0.000000000000
-0.418817051370 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.085949689854 0.000000000000 0.000000000000
0.000000000000 -0.563591440410 0.000000000000 0.000000000000
0.000000000000 -0.519540090480 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
75.401862017000 17.274818978000 5.184234742500 1.660121197300 0.512325289580 0.052000000000
0.015435362532 0.000000000000
0.099738293184 0.000000000000
0.312095939659 0.000000000000
0.492956748074 0.000000000000
0.324203983180 0.000000000000
0.000000000000 1.000000000000
0.131000000000
1.000000000000
Na:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
4 2 1
10 6 1
4098.200390800000 616.493740310000 139.966440010000 39.073441051000 11.929847205000 20.659966030000 1.983886097800 0.648363239420 0.052443967404 0.028048160742
-0.005853591188 0.000000000000 0.000000000000 0.000000000000
-0.043647161872 0.000000000000 0.000000000000 0.000000000000
-0.194314658840 0.000000000000 0.000000000000 0.000000000000
-0.486850657310 0.000000000000 0.000000000000 0.000000000000
-0.418817051370 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.085949689854 0.000000000000 0.000000000000
0.000000000000 -0.563591440410 0.000000000000 0.000000000000
0.000000000000 -0.519540090480 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
75.401862017000 17.274818978000 5.184234742500 1.660121197300 0.512325289580 0.052000000000
0.015435362532 0.000000000000
0.099738293184 0.000000000000
0.312095939659 0.000000000000
0.492956748074 0.000000000000
0.324203983180 0.000000000000
0.000000000000 1.000000000000
0.131000000000
1.000000000000
Na:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 3
14 8 3
26041.109927000001 3906.126854800000 888.974549930000 251.454979610000 81.650143512000 28.904158401000 10.625782932000 53.769410179000 16.308243025000 2.373038412500 0.957307726030 0.408064609590 0.049967582329 0.019268616250
0.000618063428 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004774860441 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024471684829 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.094755394977 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268674969200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.479254754400 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332485914690 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019527731872 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.092648010794 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.399386701720 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.642859539100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.556925969660 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
138.079799890000 32.232700393000 9.981607536000 3.482203392800 1.229913462000 0.417439594230 0.030000000000 0.091000000000
0.005795189193 0.000000000000 0.000000000000 0.000000000000
0.041620846251 0.000000000000 0.000000000000 0.000000000000
0.162819168850 0.000000000000 0.000000000000 0.000000000000
0.360117846470 0.000000000000 0.000000000000 0.000000000000
0.448589798890 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.230407595590 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.609000000000 0.430000000000 0.100000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 4 3
14 8 3
26041.109927000001 3906.126854800000 888.974549930000 251.454979610000 81.650143512000 28.904158401000 10.625782932000 53.769410179000 16.308243025000 2.373038412500 0.957307726030 0.408064609590 0.049967582329 0.019268616250
0.000618063428 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004774860441 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024471684829 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.094755394977 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268674969200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.479254754400 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332485914690 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019527731872 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.092648010794 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.399386701720 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.642859539100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.556925969660 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
138.079799890000 32.232700393000 9.981607536000 3.482203392800 1.229913462000 0.417439594230 0.030000000000 0.091000000000
0.005795189193 0.000000000000 0.000000000000 0.000000000000
0.041620846251 0.000000000000 0.000000000000 0.000000000000
0.162819168850 0.000000000000 0.000000000000 0.000000000000
0.360117846470 0.000000000000 0.000000000000 0.000000000000
0.448589798890 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.230407595590 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.609000000000 0.430000000000 0.100000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 3 1
20 12 3 1
379852.200810000009 56886.006377999998 12942.701838000001 3664.301790400000 1194.741749900000 430.981929170000 167.831694240000 69.306669040000 29.951170886000 13.380791097000 121.740112830000 37.044143387000 13.995422624000 5.982779742800 2.483045511800 1.045250618700 0.438756403830 0.065595633185 0.030561925072 0.015509064018
0.000020671384 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000160704666 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000844629058 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003551902603 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012754034468 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039895462742 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.107201544980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.233395169130 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363330772870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.305447709740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.036142427284 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.288209616870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.793373848690 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
690.776270170000 163.828061210000 52.876460769000 19.812270493000 8.132037878400 3.496906837700 1.511724414600 0.644792949120 0.261458233120 0.117047261160 0.040494747666 0.015666707355
0.000374785184 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003177544103 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016333581338 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.059754902585 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.158793288120 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.290493632600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363681311390 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281958673340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.900000000000 0.230000000000 0.075700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.135000000000
1.000000000000
Na:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 4 2
20 12 4 2
379852.200810000009 56886.006377999998 12942.701838000001 3664.301790400000 1194.741749900000 430.981929170000 167.831694240000 69.306669040000 29.951170886000 13.380791097000 121.740112830000 37.044143387000 13.995422624000 5.982779742800 2.483045511800 1.045250618700 0.438756403830 0.065595633185 0.030561925072 0.015509064018
0.000020671384 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000160704666 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000844629058 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003551902603 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012754034468 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039895462742 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.107201544980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.233395169130 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363330772870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.305447709740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.036142427284 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.288209616870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.793373848690 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
690.776270170000 163.828061210000 52.876460769000 19.812270493000 8.132037878400 3.496906837700 1.511724414600 0.644792949120 0.261458233120 0.117047261160 0.040494747666 0.015666707355
0.000374785184 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003177544103 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016333581338 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.059754902585 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.158793288120 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.290493632600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363681311390 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281958673340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.300000000000 1.590000000000 0.230000000000 0.075700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.270000000000 0.135000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
4 3 1
10 7 1
4098.200390800000 616.493740310000 139.966440010000 39.073441051000 11.929847205000 20.659966030000 1.983886097800 0.648363239420 0.052443967404 0.028048160742
-0.005853591188 0.000000000000 0.000000000000 0.000000000000
-0.043647161872 0.000000000000 0.000000000000 0.000000000000
-0.194314658840 0.000000000000 0.000000000000 0.000000000000
-0.486850657310 0.000000000000 0.000000000000 0.000000000000
-0.418817051370 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.085949689854 0.000000000000 0.000000000000
0.000000000000 -0.563591440410 0.000000000000 0.000000000000
0.000000000000 -0.519540090480 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
75.401862017000 17.274818978000 5.184234742500 1.660121197300 0.512325289580 0.052000000000 0.019853008514
0.015435362532 0.000000000000 0.000000000000
0.099738293184 0.000000000000 0.000000000000
0.312095939659 0.000000000000 0.000000000000
0.492956748074 0.000000000000 0.000000000000
0.324203983180 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.131000000000
1.000000000000
Na:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 5 3
14 9 3
26041.109927000001 3906.126854800000 888.974549930000 251.454979610000 81.650143512000 28.904158401000 10.625782932000 53.769410179000 16.308243025000 2.373038412500 0.957307726030 0.408064609590 0.049967582329 0.019268616250
0.000618063428 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004774860441 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024471684829 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.094755394977 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268674969200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.479254754400 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332485914690 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019527731872 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.092648010794 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.399386701720 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.642859539100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.556925969660 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
138.079799890000 32.232700393000 9.981607536000 3.482203392800 1.229913462000 0.417439594230 0.030000000000 0.091000000000 0.011082810218
0.005795189193 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.041620846251 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162819168850 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360117846470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.448589798890 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.230407595590 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.609000000000 0.430000000000 0.100000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 5 3
14 9 3
26041.109927000001 3906.126854800000 888.974549930000 251.454979610000 81.650143512000 28.904158401000 10.625782932000 53.769410179000 16.308243025000 2.373038412500 0.957307726030 0.408064609590 0.049967582329 0.019268616250
0.000618063428 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004774860441 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.024471684829 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.094755394977 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268674969200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.479254754400 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.332485914690 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.019527731872 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.092648010794 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.399386701720 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.642859539100 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.556925969660 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
138.079799890000 32.232700393000 9.981607536000 3.482203392800 1.229913462000 0.417439594230 0.030000000000 0.091000000000 0.011082810218
0.005795189193 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.041620846251 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.162819168850 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.360117846470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.448589798890 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.230407595590 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.609000000000 0.430000000000 0.100000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 3 1
20 12 3 1
379852.200810000009 56886.006377999998 12942.701838000001 3664.301790400000 1194.741749900000 430.981929170000 167.831694240000 69.306669040000 29.951170886000 13.380791097000 121.740112830000 37.044143387000 13.995422624000 5.982779742800 2.483045511800 1.045250618700 0.438756403830 0.065595633185 0.030561925072 0.015509064018
0.000020671384 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000160704666 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000844629058 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003551902603 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012754034468 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039895462742 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.107201544980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.233395169130 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363330772870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.305447709740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.036142427284 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.288209616870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.793373848690 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
690.776270170000 163.828061210000 52.876460769000 19.812270493000 8.132037878400 3.496906837700 1.511724414600 0.644792949120 0.261458233120 0.117047261160 0.040494747666 0.015666707355
0.000374785184 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003177544103 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016333581338 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.059754902585 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.158793288120 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.290493632600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363681311390 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281958673340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.900000000000 0.230000000000 0.075700000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.135000000000
1.000000000000
Na:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
9 5 4 2
20 12 4 2
379852.200810000009 56886.006377999998 12942.701838000001 3664.301790400000 1194.741749900000 430.981929170000 167.831694240000 69.306669040000 29.951170886000 13.380791097000 121.740112830000 37.044143387000 13.995422624000 5.982779742800 2.483045511800 1.045250618700 0.438756403830 0.065595633185 0.030561925072 0.015509064018
0.000020671384 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000160704666 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000844629058 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003551902603 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012754034468 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.039895462742 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.107201544980 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.233395169130 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363330772870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.305447709740 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.036142427284 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.288209616870 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.793373848690 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
690.776270170000 163.828061210000 52.876460769000 19.812270493000 8.132037878400 3.496906837700 1.511724414600 0.644792949120 0.261458233120 0.117047261160 0.040494747666 0.015666707355
0.000374785184 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003177544103 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.016333581338 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.059754902585 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.158793288120 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.290493632600 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.363681311390 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.281958673340 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.300000000000 1.590000000000 0.230000000000 0.075700000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.270000000000 0.135000000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
2
0 1
2 2
3 3
0.497200000000 0.056000000000 0.022100000000
-0.275357400000 0.000000000000
1.098996900000 0.000000000000
0.000000000000 1.000000000000
0.669700000000 0.063600000000 0.020400000000
-0.068384500000 0.000000000000
1.014055000000 0.000000000000
0.000000000000 1.000000000000
Na:cc-pVDZ-RI
Weigend's auxiliary basis set
4
0 1 2 3
9 7 5 3
9 7 5 3
159.646000000000 35.088600000000 9.680680000000 5.654590000000 1.832360000000 0.640241000000 0.329007000000 0.130603000000 0.050462400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
51.309100000000 5.340790000000 1.727970000000 0.908608000000 0.410309000000 0.102451000000 0.061683300000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
16.944000000000 4.705220000000 1.089250000000 0.528614000000 0.155416000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.314970000000 0.682956000000 0.273570000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:cc-pVTZ-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
10 8 7 5 2
10 8 7 5 2
262.945000000000 59.327200000000 24.410600000000 10.315300000000 3.824670000000 1.211380000000 0.626025000000 0.231136000000 0.099616000000 0.060853800000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
45.960200000000 5.926730000000 2.448010000000 1.251730000000 0.555056000000 0.323653000000 0.131738000000 0.067946600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
23.726200000000 7.203370000000 2.548530000000 0.965966000000 0.423426000000 0.250862000000 0.102838000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.719550000000 1.167540000000 0.529388000000 0.265125000000 0.146659000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.446880000000 0.514372000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:cc-pVQZ-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
11 9 8 6 3 1
11 9 8 6 3 1
214.738000000000 48.643700000000 16.306200000000 9.606580000000 3.492360000000 1.310210000000 0.608485000000 0.352171000000 0.185033000000 0.088204300000 0.050620100000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
67.894700000000 25.501600000000 6.269630000000 2.297510000000 1.325290000000 0.534763000000 0.280666000000 0.139646000000 0.067094200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
29.330400000000 8.491000000000 3.171810000000 1.400430000000 0.717681000000 0.407893000000 0.269587000000 0.121099000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
4.802800000000 2.190800000000 0.838895000000 0.358626000000 0.215661000000 0.117546000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.365080000000 0.578782000000 0.297583000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.648943000000
1.000000000000
Na:cc-pV5Z-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
12 11 9 7 5 3 1
12 11 9 7 5 3 1
419.616000000000 76.184400000000 36.109400000000 10.679900000000 5.620630000000 1.925560000000 0.852646000000 0.387552000000 0.221264000000 0.139657000000 0.084509100000 0.049375700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
90.027500000000 22.833000000000 8.495520000000 3.996960000000 1.854640000000 0.833572000000 0.404155000000 0.220763000000 0.140095000000 0.094966500000 0.055504600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
24.684200000000 7.308650000000 2.161400000000 1.015980000000 0.460342000000 0.264182000000 0.163262000000 0.112281000000 0.071735900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.498600000000 1.897290000000 0.906002000000 0.448908000000 0.279331000000 0.169807000000 0.100110000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.972760000000 0.831274000000 0.444306000000 0.243401000000 0.121353000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
1.196610000000 0.515542000000 0.195597000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.533694000000
1.000000000000
Na:def2-SV(P)-RI
Weigend's auxiliary basis set
4
0 1 2 3
7 5 3 2
10 8 5 2
201.741649950000 73.794704340000 19.066478080000 11.833148990000 3.993441780000 2.048174130000 0.878229570000 0.324077480000 0.132723250000 0.054619240000
0.571124700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.436089860000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -7.143131100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.633064580000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.227501700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.002711060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.370194790000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
51.323937770000 16.871533990000 5.406110830000 2.391001280000 0.940669070000 0.455600320000 0.126397470000 0.074819040000
-0.891462360000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.114797560000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.892993390000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.637846220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.853509650000 7.213677490000 2.720426900000 0.788526480000 0.171632090000
1.702621480000 0.000000000000 0.000000000000
1.697920910000 0.000000000000 0.000000000000
1.180921650000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.119326640000 0.636541460000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:def2-SVP-RI
Weigend's auxiliary basis set
4
0 1 2 3
7 5 3 2
10 8 5 2
201.741649950000 73.794704340000 19.066478080000 11.833148990000 3.993441780000 2.048174130000 0.878229570000 0.324077480000 0.132723250000 0.054619240000
0.571124700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.436089860000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -7.143131100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.633064580000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.227501700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.002711060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.370194790000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
51.323937770000 16.871533990000 5.406110830000 2.391001280000 0.940669070000 0.455600320000 0.126397470000 0.074819040000
-0.891462360000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.114797560000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.892993390000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.637846220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.853509650000 7.213677490000 2.720426900000 0.788526480000 0.171632090000
1.702621480000 0.000000000000 0.000000000000
1.697920910000 0.000000000000 0.000000000000
1.180921650000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.119326640000 0.636541460000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:def2-TZVP-RI
Weigend's auxiliary basis set
4
0 1 2 3
10 8 6 5
10 8 6 5
217.130000000000 80.129700000000 30.575400000000 11.597400000000 4.454410000000 1.764260000000 0.834360000000 0.367879000000 0.160069000000 0.069591200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.041200000000 14.623300000000 4.922400000000 2.856040000000 1.014390000000 0.439945000000 0.138729000000 0.084047600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25.231000000000 8.522360000000 3.816720000000 1.158900000000 0.513551000000 0.150427000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.489540000000 3.933940000000 1.219490000000 0.499730000000 0.199753000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Na:def2-TZVPP-RI
Weigend's auxiliary basis set
4
0 1 2 3
10 8 6 5
10 8 6 5
217.130000000000 80.129700000000 30.575400000000 11.597400000000 4.454410000000 1.764260000000 0.834360000000 0.367879000000 0.160069000000 0.069591200000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.041200000000 14.623300000000 4.922400000000 2.856040000000 1.014390000000 0.439945000000 0.138729000000 0.084047600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25.231000000000 8.522360000000 3.816720000000 1.158900000000 0.513551000000 0.150427000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.489540000000 3.933940000000 1.219490000000 0.499730000000 0.199753000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Na:def2-QZVP-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
12 11 9 7 3
12 11 9 7 3
738.390000000000 166.761000000000 49.463000000000 18.323000000000 9.833470000000 5.874470000000 3.442700000000 1.829300000000 0.781755000000 0.339646000000 0.118288000000 0.064072500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
181.740000000000 45.885200000000 21.042500000000 8.015550000000 4.610470000000 2.140480000000 1.111950000000 0.336434000000 0.150055000000 0.081726200000 0.044641000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.021000000000 9.716810000000 6.132390000000 3.325200000000 1.991450000000 0.721653000000 0.257478000000 0.129140000000 0.051487400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.226000000000 6.743180000000 3.464660000000 1.882310000000 0.617616000000 0.177537000000 0.058555900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.698680000000 4.193510000000 0.307837000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:def2-QZVPP-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
12 11 9 7 3
12 11 9 7 3
738.390000000000 166.761000000000 49.463000000000 18.323000000000 9.833470000000 5.874470000000 3.442700000000 1.829300000000 0.781755000000 0.339646000000 0.118288000000 0.064072500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
181.740000000000 45.885200000000 21.042500000000 8.015550000000 4.610470000000 2.140480000000 1.111950000000 0.336434000000 0.150055000000 0.081726200000 0.044641000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.021000000000 9.716810000000 6.132390000000 3.325200000000 1.991450000000 0.721653000000 0.257478000000 0.129140000000 0.051487400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.226000000000 6.743180000000 3.464660000000 1.882310000000 0.617616000000 0.177537000000 0.058555900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.698680000000 4.193510000000 0.307837000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:def2-SVPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
8 6 4 2
11 9 6 2
201.741649950000 73.794704340000 19.066478080000 11.833148990000 3.993441780000 2.048174130000 0.878229570000 0.324077480000 0.132723250000 0.054619240000 0.038946200000
0.571124700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.436089860000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -7.143131100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.633064580000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.227501700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.002711060000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.370194790000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
51.323937770000 16.871533990000 5.406110830000 2.391001280000 0.940669070000 0.455600320000 0.126397470000 0.074819040000 0.049378000000
-0.891462360000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.114797560000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.892993390000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.637846220000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
17.853509650000 7.213677490000 2.720426900000 0.788526480000 0.171632090000 0.082433900000
1.702621480000 0.000000000000 0.000000000000 0.000000000000
1.697920910000 0.000000000000 0.000000000000 0.000000000000
1.180921650000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.119326640000 0.636541460000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:def2-TZVPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
11 9 7 5
11 9 7 5
217.130000000000 80.129700000000 30.575400000000 11.597400000000 4.454410000000 1.764260000000 0.834360000000 0.367879000000 0.160069000000 0.069591200000 0.039298900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.041200000000 14.623300000000 4.922400000000 2.856040000000 1.014390000000 0.439945000000 0.138729000000 0.084047600000 0.028697500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25.231000000000 8.522360000000 3.816720000000 1.158900000000 0.513551000000 0.150427000000 0.123627000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.489540000000 3.933940000000 1.219490000000 0.499730000000 0.199753000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Na:def2-TZVPPD-RI
Weigend's auxiliary basis set
4
0 1 2 3
11 9 7 5
11 9 7 5
217.130000000000 80.129700000000 30.575400000000 11.597400000000 4.454410000000 1.764260000000 0.834360000000 0.367879000000 0.160069000000 0.069591200000 0.039298900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
43.041200000000 14.623300000000 4.922400000000 2.856040000000 1.014390000000 0.439945000000 0.138729000000 0.084047600000 0.028697500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
25.231000000000 8.522360000000 3.816720000000 1.158900000000 0.513551000000 0.150427000000 0.123627000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
8.489540000000 3.933940000000 1.219490000000 0.499730000000 0.199753000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
Na:def2-QZVPPD-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
12 11 9 7 3
12 11 9 7 3
738.390000000000 166.761000000000 49.463000000000 18.323000000000 9.833470000000 5.874470000000 3.442700000000 1.829300000000 0.781755000000 0.339646000000 0.118288000000 0.064072500000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
181.740000000000 45.885200000000 21.042500000000 8.015550000000 4.610470000000 2.140480000000 1.111950000000 0.336434000000 0.150055000000 0.081726200000 0.044641000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
30.021000000000 9.716810000000 6.132390000000 3.325200000000 1.991450000000 0.721653000000 0.257478000000 0.129140000000 0.051487400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.226000000000 6.743180000000 3.464660000000 1.882310000000 0.617616000000 0.177537000000 0.058555900000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
7.698680000000 4.193510000000 0.307837000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Na:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
5
0 1 2 3 4
13 9 7 4 1
16 12 9 4 1
1671.897585200000 586.069753900000 218.342605200000 86.366033900000 36.219384800000 16.073013700000 7.528989100000 3.711254700000 1.917911100000 1.034530500000 0.579495700000 0.335154300000 0.198864300000 0.120223000000 0.073512900000 0.045123200000
0.110324035600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.231399118400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.597169764600 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.760046924500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
349.752138500000 136.727806300000 55.817015700000 23.726257200000 10.466263900000 4.773171100000 2.240985000000 1.078135600000 0.528855400000 0.263101300000 0.132015400000 0.066431100000
0.092141663300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.268533727400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.668124801400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.687756352800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
83.715935800000 33.253314200000 13.842977800000 6.006719800000 2.699977500000 1.248474000000 0.589386600000 0.281781800000 0.135291800000
0.053289694100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.213382296500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.605325324800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.764989840000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
15.819398000000 5.273131800000 1.757716900000 0.585903330000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.605815900000
0.707134570600
Na:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 4 4 1 1
14 5 5 2 1
3754.946875800000 1406.456087800000 543.461152800000 216.238911800000 88.418011000000 37.070080100000 15.897697100000 6.955784500000 3.096415600000 1.398323300000 0.638657800000 0.294084400000 0.136086600000 0.063077500000
0.368128000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.638650500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.131402700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
4.434195200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
6.019318600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
2.606665900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.661704600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.091078600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 2.336296900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.974182500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.061992900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.007691300000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.026345200000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002726300000
19.291476800000 5.815659500000 1.728580400000 0.509490100000 0.149752400000
0.009116300000 0.000000000000 0.000000000000 0.000000000000
-0.028615100000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.015546300000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.013356700000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.019481000000
14.091159300000 3.982661600000 1.328560200000 0.496938800000 0.193707500000
0.002504600000 0.000000000000 0.000000000000 0.000000000000
0.001279300000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.002398600000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000667700000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.004981500000
0.187353200000 0.098027100000
0.001214100000
-0.000470600000
0.070160000000
0.000116100000
Na:cc-pVDZ-F12-OPTRI
Peterson's CABS RI basis set
5
0 1 2 3 4
4 5 4 3 1
4 5 4 3 1
2.934741000000 0.348607000000 0.092676000000 0.011855000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
10.891993000000 1.200796000000 0.333449000000 0.068619000000 0.011507000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.531544000000 0.315764000000 0.144577000000 0.084987000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.711033400000 0.265367600000 0.046134800000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.382696100000
1.000000000000
Na:cc-pVTZ-F12-OPTRI
Peterson's CABS RI basis set
5
0 1 2 3 4
4 4 4 3 2
4 4 4 3 2
0.302329100000 0.226029100000 0.049647000000 0.011423400000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
3.944972700000 0.257799900000 0.045690700000 0.019774600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
5.674822500000 0.439837500000 0.315884500000 0.067410000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.499363400000 0.315305100000 0.096887800000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.777606000000 0.473935100000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Na:cc-pVQZ-F12-OPTRI
Peterson's CABS RI basis set
6
0 1 2 3 4 5
4 4 4 3 2 1
4 4 4 3 2 1
0.970793500000 0.264226300000 0.054504900000 0.026013700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.978840000000 0.400172300000 0.174583300000 0.077136600000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
6.818929300000 1.164611000000 0.747202900000 0.177918700000
1.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000
0.765636100000 0.236315000000 0.140635800000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.268069900000 0.205677500000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
0.091916000000
1.000000000000
Na:LANL2DZ-ECP-10
LANL2DZ ECP
*
NCORE = 10 LMAX =2
d-ul
-10.000000000000 1 175.550259000000
-47.490202400000 2 35.051679100000
-17.228300700000 2 7.906027000000
-6.063778200000 2 2.336571900000
-0.729939300000 2 0.779986700000
s-ul
3.000000000000 0 243.360584600000
36.284762600000 1 41.576475900000
72.930488000000 2 13.264916700000
23.840115100000 2 3.679716500000
6.012386100000 2 0.976420900000
p-ul
5.000000000000 0 1257.265068200000
117.449568300000 1 189.624881000000
423.398670400000 2 54.524775900000
109.324729700000 2 13.744995500000
31.370165600000 2 3.681357900000
7.124181300000 2 0.946110600000
*
Reference in New Issue View Git Blame Copy Permalink