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

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Ru:cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
4 4 3 1
8 7 6 1
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1.000000000000
Ru:cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
5 5 4 2 1
10 9 8 2 1
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Ru:cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
6 6 5 3 2 1
14 11 10 3 2 1
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Ru:cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
7 7 6 4 3 2 1
16 13 11 4 3 2 1
19299.799999999999 3177.370000000000 765.833000000000 211.496000000000 35.075700000000 21.903000000000 13.680200000000 5.315090000000 3.313490000000 1.581430000000 0.864369000000 0.450612000000 0.178936000000 0.091257000000 0.045100000000 0.022355000000
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Ru:aug-cc-pVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
5 5 4 2
9 8 7 2
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Ru:aug-cc-pVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
6 6 5 3 2
11 10 9 3 2
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Ru:aug-cc-pVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
7 7 6 4 3 2
15 12 11 4 3 2
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-0.161012000000 0.048772000000 0.089305000000 -0.153820000000 0.191621000000 0.000000000000 0.000000000000
-0.129038000000 0.035193000000 0.070717000000 -0.173152000000 0.652829000000 0.000000000000 0.000000000000
0.314763000000 -0.103223000000 -0.204747000000 0.530975000000 -2.153374000000 0.000000000000 0.000000000000
0.504141000000 -0.181115000000 -0.371511000000 0.817626000000 0.409442000000 0.000000000000 0.000000000000
0.325271000000 -0.124388000000 -0.143635000000 -0.786732000000 2.457095000000 0.000000000000 0.000000000000
0.078702000000 0.112028000000 0.462221000000 -1.047486000000 -2.286848000000 0.000000000000 0.000000000000
0.003763000000 0.422511000000 0.585581000000 0.754908000000 0.077769000000 0.000000000000 0.000000000000
0.001286000000 0.477231000000 0.150749000000 0.463251000000 0.765604000000 0.000000000000 0.000000000000
0.000000000000 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
75.375100000000 19.890100000000 7.879240000000 2.908340000000 1.638830000000 0.875730000000 0.450483000000 0.222770000000 0.105342000000 0.046455000000 0.020500000000
0.000180000000 -0.000203000000 -0.000355000000 -0.000182000000 0.000000000000 0.000000000000
0.002084000000 -0.002086000000 -0.003193000000 -0.007283000000 0.000000000000 0.000000000000
-0.018671000000 0.019428000000 0.031956000000 0.061663000000 0.000000000000 0.000000000000
0.078054000000 -0.087106000000 -0.185599000000 -0.444168000000 0.000000000000 0.000000000000
0.226328000000 -0.286413000000 -0.583185000000 -0.799839000000 0.000000000000 0.000000000000
0.317100000000 -0.331908000000 -0.072766000000 1.306162000000 0.000000000000 0.000000000000
0.305036000000 -0.002121000000 0.798707000000 0.347088000000 0.000000000000 0.000000000000
0.215150000000 0.402355000000 0.301636000000 -1.222302000000 0.000000000000 0.000000000000
0.099758000000 0.454332000000 -0.540968000000 0.174400000000 0.000000000000 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
2.898000000000 0.958800000000 0.317200000000 0.113800000000
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
1.710000000000 0.577800000000 0.237000000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.164600000000 0.496400000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:aug-cc-pV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
8 8 7 5 4 3 2
17 14 12 5 4 3 2
19299.799999999999 3177.370000000000 765.833000000000 211.496000000000 35.075700000000 21.903000000000 13.680200000000 5.315090000000 3.313490000000 1.581430000000 0.864369000000 0.450612000000 0.178936000000 0.091257000000 0.045100000000 0.022355000000 0.011100000000
0.000003000000 -0.000001000000 -0.000002000000 -0.000003000000 0.000004000000 0.000023000000 0.000000000000 0.000000000000
0.000020000000 -0.000007000000 -0.000014000000 -0.000027000000 0.000043000000 -0.000098000000 0.000000000000 0.000000000000
0.000095000000 -0.000030000000 -0.000072000000 -0.000077000000 0.000079000000 0.001221000000 0.000000000000 0.000000000000
0.000308000000 -0.000106000000 -0.000209000000 -0.000464000000 0.000784000000 -0.003265000000 0.000000000000 0.000000000000
0.008309000000 -0.002358000000 -0.006006000000 -0.003431000000 -0.000252000000 0.173777000000 0.000000000000 0.000000000000
-0.063212000000 0.018713000000 0.043721000000 0.043560000000 -0.041404000000 -0.736766000000 0.000000000000 0.000000000000
0.190136000000 -0.059035000000 -0.133745000000 -0.168575000000 0.212222000000 1.396562000000 0.000000000000 0.000000000000
-0.406783000000 0.143809000000 0.339978000000 0.421316000000 -0.612997000000 -4.990693000000 0.000000000000 0.000000000000
-0.315716000000 0.091747000000 0.201862000000 0.676179000000 -1.302914000000 5.722819000000 0.000000000000 0.000000000000
0.459327000000 -0.178505000000 -0.476256000000 -2.141542000000 6.839102000000 2.912161000000 0.000000000000 0.000000000000
0.660970000000 -0.308417000000 -1.253011000000 -0.917922000000 -7.334222000000 -11.612415000000 0.000000000000 0.000000000000
0.267072000000 -0.215797000000 0.694108000000 3.593341000000 1.144410000000 11.974047000000 0.000000000000 0.000000000000
0.019953000000 0.148545000000 1.639394000000 -1.199215000000 4.623994000000 -8.502542000000 0.000000000000 0.000000000000
-0.002101000000 0.498927000000 -0.381494000000 -1.713911000000 -4.983529000000 4.224235000000 0.000000000000 0.000000000000
0.002611000000 0.458678000000 -0.708878000000 1.026615000000 0.974829000000 0.774331000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
117.237000000000 20.733300000000 12.950700000000 8.089950000000 4.849080000000 1.977880000000 1.145550000000 0.648227000000 0.355144000000 0.174413000000 0.086952000000 0.043179000000 0.021017000000 0.010200000000
0.000171000000 -0.000051000000 -0.000090000000 -0.000129000000 -0.000278000000 0.001713000000 0.000000000000 0.000000000000
-0.003791000000 0.001078000000 0.001777000000 0.001597000000 0.005776000000 -0.070641000000 0.000000000000 0.000000000000
0.049460000000 -0.014649000000 -0.026071000000 -0.038680000000 -0.075330000000 0.406788000000 0.000000000000 0.000000000000
-0.093502000000 0.029631000000 0.052446000000 0.077287000000 0.145389000000 -0.883480000000 0.000000000000 0.000000000000
-0.138215000000 0.038211000000 0.075051000000 0.160770000000 0.307947000000 0.177920000000 0.000000000000 0.000000000000
0.268349000000 -0.092896000000 -0.182928000000 -0.446105000000 -1.569281000000 4.376654000000 0.000000000000 0.000000000000
0.427709000000 -0.147395000000 -0.307828000000 -0.757646000000 -0.294516000000 -7.004054000000 0.000000000000 0.000000000000
0.330495000000 -0.135903000000 -0.218580000000 0.304677000000 2.771563000000 3.107103000000 0.000000000000 0.000000000000
0.130902000000 0.016493000000 0.242215000000 1.233131000000 -1.001196000000 1.730309000000 0.000000000000 0.000000000000
0.018989000000 0.261901000000 0.576414000000 -0.028423000000 -1.531857000000 -2.575248000000 0.000000000000 0.000000000000
0.000796000000 0.437923000000 0.342488000000 -0.800539000000 1.007506000000 0.714512000000 0.000000000000 0.000000000000
0.000462000000 0.349136000000 0.057606000000 -0.156148000000 0.276880000000 0.436911000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
126.394000000000 38.449300000000 14.021400000000 8.716830000000 2.681440000000 1.490430000000 0.800533000000 0.415727000000 0.207737000000 0.099432000000 0.044515000000 0.019900000000
0.000062000000 -0.000065000000 -0.000126000000 -0.000432000000 0.000742000000 0.000000000000 0.000000000000
0.000447000000 -0.000485000000 -0.000678000000 0.000893000000 -0.002272000000 0.000000000000 0.000000000000
0.004672000000 -0.004764000000 -0.008496000000 -0.026541000000 0.046476000000 0.000000000000 0.000000000000
-0.019734000000 0.020640000000 0.035722000000 0.080686000000 -0.139057000000 0.000000000000 0.000000000000
0.102752000000 -0.117983000000 -0.263028000000 -0.616919000000 1.553248000000 0.000000000000 0.000000000000
0.243718000000 -0.307306000000 -0.576340000000 -0.631203000000 -1.322849000000 0.000000000000 0.000000000000
0.314807000000 -0.304873000000 0.080093000000 1.595959000000 -1.197227000000 0.000000000000 0.000000000000
0.291327000000 0.052701000000 0.788572000000 -0.138520000000 2.572867000000 0.000000000000 0.000000000000
0.199960000000 0.418288000000 0.211333000000 -1.061802000000 -1.446702000000 0.000000000000 0.000000000000
0.089734000000 0.429625000000 -0.560351000000 0.280080000000 -0.353899000000 0.000000000000 0.000000000000
0.000000000000 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
4.744800000000 1.772400000000 0.662100000000 0.247300000000 0.092100000000
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
2.411600000000 0.982400000000 0.400200000000 0.159000000000
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
1.959500000000 0.718200000000 0.298900000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.521100000000 0.718600000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:aug-cc-pwCVDZ-PP
Peterson's correlation consistent ECP basis set
4
0 1 2 3
6 6 5 3
10 9 8 3
159.372000000000 20.901600000000 13.074100000000 4.714740000000 2.004900000000 1.136120000000 0.515464000000 0.106767000000 0.039218000000 0.014400000000
0.000000000000 0.000673000000 0.000895000000 -0.000169000000 0.000000000000 0.000000000000
0.000000000000 -0.037161000000 -0.039635000000 0.009392000000 0.000000000000 0.000000000000
0.000000000000 0.166517000000 0.144243000000 -0.047713000000 0.000000000000 0.000000000000
0.000000000000 -0.615954000000 -0.519287000000 0.201113000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.842830000000 1.585404000000 -0.373421000000 0.000000000000 0.000000000000
0.000000000000 0.447763000000 -0.908203000000 -0.273859000000 0.000000000000 0.000000000000
0.000000000000 0.018445000000 -1.472002000000 0.609384000000 0.000000000000 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
12.873800000000 6.147500000000 2.005800000000 1.565240000000 0.736194000000 0.326317000000 0.112407000000 0.039172000000 0.013700000000
0.000000000000 0.029968000000 -0.013502000000 -0.007801000000 0.000000000000 0.000000000000
0.000000000000 -0.187930000000 0.093733000000 0.053656000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.499990000000 -0.315910000000 -0.171940000000 0.000000000000 0.000000000000
0.000000000000 0.495732000000 -0.361800000000 -0.199170000000 0.000000000000 0.000000000000
0.000000000000 0.147515000000 0.400877000000 0.074411000000 0.000000000000 0.000000000000
0.000000000000 0.006088000000 0.753766000000 0.597137000000 0.000000000000 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
6.212650000000 2.785390000000 1.918900000000 1.268510000000 0.551790000000 0.224731000000 0.082411000000 0.030200000000
0.000000000000 -0.024597000000 0.026116000000 0.000000000000 0.000000000000
0.000000000000 0.127334000000 -0.145940000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.357081000000 -0.442521000000 0.000000000000 0.000000000000
0.000000000000 0.408207000000 -0.169020000000 0.000000000000 0.000000000000
0.000000000000 0.281240000000 0.505237000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
2.657300000000 0.850000000000 0.271900000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Ru:aug-cc-pwCVTZ-PP
Peterson's correlation consistent ECP basis set
5
0 1 2 3 4
8 8 7 4 3
13 12 11 4 3
208.250000000000 18.847100000000 11.781800000000 7.361950000000 4.277710000000 1.776000000000 1.191070000000 1.112200000000 0.548568000000 0.138694000000 0.067651000000 0.030141000000 0.013400000000
0.000000000000 0.000000000000 0.000523000000 -0.000182000000 -0.000635000000 -0.000175000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.044913000000 0.005273000000 0.051747000000 0.014803000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.257626000000 -0.078557000000 -0.317189000000 -0.087527000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.209130000000 -0.013897000000 0.329848000000 0.084282000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.510662000000 0.547987000000 0.627053000000 0.154911000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.803247000000 -1.498085000000 -3.422209000000 -0.338141000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.498414000000 0.479500000000 3.847948000000 -0.316005000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.033766000000 2.140254000000 -1.623926000000 0.283526000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.012094000000 -1.454561000000 -0.603223000000 0.609273000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
22.775300000000 14.234000000000 5.987550000000 2.967900000000 1.639240000000 0.940600000000 0.827880000000 0.409010000000 0.171877000000 0.071271000000 0.029226000000 0.012000000000
0.000000000000 0.000000000000 -0.001544000000 -0.000063000000 -0.000148000000 0.001103000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.025771000000 -0.011461000000 -0.009174000000 -0.022519000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.186598000000 0.099993000000 0.081374000000 0.182161000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.442774000000 -0.303641000000 -0.236125000000 -0.731330000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.478151000000 -0.363886000000 -0.294333000000 -0.490117000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.208369000000 0.165935000000 0.015098000000 1.523539000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.024635000000 0.700545000000 0.656089000000 -0.039182000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000219000000 0.318943000000 0.438944000000 -0.866183000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
25.883800000000 7.592550000000 3.102100000000 2.712930000000 1.397080000000 0.965400000000 0.682565000000 0.319378000000 0.141781000000 0.058017000000 0.023700000000
0.000000000000 0.000000000000 0.001523000000 0.002656000000 -0.001551000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.018162000000 -0.033760000000 0.019035000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.109691000000 0.292923000000 -0.125774000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.291597000000 0.617371000000 -0.363285000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.362044000000 -0.362530000000 -0.279351000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.297514000000 -0.803158000000 0.245712000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.161037000000 0.315461000000 0.547261000000 0.000000000000 0.000000000000
0.000000000000 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
3.372700000000 1.278500000000 0.475400000000 0.176800000000
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
2.534500000000 1.031100000000 0.419500000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Ru:aug-cc-pwCVQZ-PP
Peterson's correlation consistent ECP basis set
6
0 1 2 3 4 5
9 9 8 5 4 3
17 14 13 5 4 3
7269.890000000000 1087.840000000000 241.787000000000 35.452500000000 22.141500000000 13.829200000000 5.132130000000 3.170590000000 2.125700000000 1.494870000000 1.330800000000 0.800530000000 0.411638000000 0.142417000000 0.063563000000 0.028296000000 0.012600000000
0.000000000000 0.000000000000 0.000011000000 -0.000007000000 -0.000012000000 -0.000004000000 -0.000016000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000078000000 -0.000065000000 -0.000084000000 -0.000025000000 -0.000181000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000311000000 -0.000174000000 -0.000362000000 -0.000106000000 -0.000332000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.008734000000 -0.008368000000 -0.007658000000 -0.002497000000 -0.025429000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.063604000000 0.051785000000 0.058439000000 0.018842000000 0.144397000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.185715000000 -0.141771000000 -0.186237000000 -0.057581000000 -0.383644000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.454490000000 0.414427000000 0.574966000000 0.160458000000 1.390286000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.256342000000 0.078473000000 0.401552000000 0.069126000000 0.127154000000 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 0.533045000000 -0.444688000000 -2.199786000000 -0.203979000000 -6.855152000000 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 0.639972000000 -1.455035000000 -0.435522000000 -0.320498000000 9.696105000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.215273000000 1.272232000000 3.427607000000 -0.174656000000 -4.739994000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.011261000000 1.407245000000 -2.445479000000 0.332696000000 -0.921466000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.000095000000 -0.999644000000 -0.149943000000 0.630321000000 3.054357000000 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
174.307000000000 11.504000000000 7.191760000000 3.574980000000 3.016800000000 2.130780000000 1.337500000000 1.089220000000 0.558637000000 0.270477000000 0.123896000000 0.055823000000 0.024842000000 0.011100000000
0.000000000000 0.000000000000 0.000103000000 -0.000061000000 -0.000250000000 0.000112000000 -0.000033000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.053994000000 -0.028785000000 -0.062992000000 0.049262000000 -0.015713000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.161012000000 0.089305000000 0.191621000000 -0.153820000000 0.048772000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.129038000000 0.070717000000 0.652829000000 -0.173152000000 0.035193000000 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 0.314763000000 -0.204747000000 -2.153374000000 0.530975000000 -0.103223000000 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 0.504141000000 -0.371511000000 0.409442000000 0.817626000000 -0.181115000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.325271000000 -0.143635000000 2.457095000000 -0.786732000000 -0.124388000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.078702000000 0.462221000000 -2.286848000000 -1.047486000000 0.112028000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.003763000000 0.585581000000 0.077769000000 0.754908000000 0.422511000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.001286000000 0.150749000000 0.765604000000 0.463251000000 0.477231000000 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
75.375100000000 19.890100000000 7.879240000000 3.739200000000 2.908340000000 1.638830000000 1.326500000000 0.875730000000 0.450483000000 0.222770000000 0.105342000000 0.046455000000 0.020500000000
0.000000000000 0.000000000000 0.000180000000 -0.000355000000 -0.000182000000 -0.000203000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002084000000 -0.003193000000 -0.007283000000 -0.002086000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.018671000000 0.031956000000 0.061663000000 0.019428000000 0.000000000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.078054000000 -0.185599000000 -0.444168000000 -0.087106000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.226328000000 -0.583185000000 -0.799839000000 -0.286413000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.317100000000 -0.072766000000 1.306162000000 -0.331908000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.305036000000 0.798707000000 0.347088000000 -0.002121000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.215150000000 0.301636000000 -1.222302000000 0.402355000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.099758000000 -0.540968000000 0.174400000000 0.454332000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 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
4.803900000000 2.061500000000 0.884600000000 0.317200000000 0.113800000000
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
2.885500000000 1.408700000000 0.577800000000 0.237000000000
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
2.732300000000 1.164600000000 0.496400000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Ru:aug-cc-pwCV5Z-PP
Peterson's correlation consistent ECP basis set
7
0 1 2 3 4 5 6
10 10 9 6 5 4 3
19 16 14 6 5 4 3
19299.799999999999 3177.370000000000 765.833000000000 211.496000000000 35.075700000000 21.903000000000 13.680200000000 5.315090000000 3.313490000000 1.581430000000 1.366300000000 0.864369000000 0.854400000000 0.450612000000 0.178936000000 0.091257000000 0.045100000000 0.022355000000 0.011100000000
0.000000000000 0.000000000000 0.000003000000 -0.000003000000 -0.000002000000 -0.000001000000 0.000004000000 0.000023000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000020000000 -0.000027000000 -0.000014000000 -0.000007000000 0.000043000000 -0.000098000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000095000000 -0.000077000000 -0.000072000000 -0.000030000000 0.000079000000 0.001221000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000308000000 -0.000464000000 -0.000209000000 -0.000106000000 0.000784000000 -0.003265000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.008309000000 -0.003431000000 -0.006006000000 -0.002358000000 -0.000252000000 0.173777000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.063212000000 0.043560000000 0.043721000000 0.018713000000 -0.041404000000 -0.736766000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.190136000000 -0.168575000000 -0.133745000000 -0.059035000000 0.212222000000 1.396562000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.406783000000 0.421316000000 0.339978000000 0.143809000000 -0.612997000000 -4.990693000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.315716000000 0.676179000000 0.201862000000 0.091747000000 -1.302914000000 5.722819000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.459327000000 -2.141542000000 -0.476256000000 -0.178505000000 6.839102000000 2.912161000000 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 0.660970000000 -0.917922000000 -1.253011000000 -0.308417000000 -7.334222000000 -11.612415000000 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 0.267072000000 3.593341000000 0.694108000000 -0.215797000000 1.144410000000 11.974047000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.019953000000 -1.199215000000 1.639394000000 0.148545000000 4.623994000000 -8.502542000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.002101000000 -1.713911000000 -0.381494000000 0.498927000000 -4.983529000000 4.224235000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002611000000 1.026615000000 -0.708878000000 0.458678000000 0.974829000000 0.774331000000 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
117.237000000000 20.733300000000 12.950700000000 8.089950000000 4.849080000000 3.082900000000 1.977880000000 1.927400000000 1.145550000000 0.648227000000 0.355144000000 0.174413000000 0.086952000000 0.043179000000 0.021017000000 0.010200000000
0.000000000000 0.000000000000 0.000171000000 -0.000090000000 0.001713000000 -0.000278000000 -0.000129000000 -0.000051000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.003791000000 0.001777000000 -0.070641000000 0.005776000000 0.001597000000 0.001078000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.049460000000 -0.026071000000 0.406788000000 -0.075330000000 -0.038680000000 -0.014649000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.093502000000 0.052446000000 -0.883480000000 0.145389000000 0.077287000000 0.029631000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.138215000000 0.075051000000 0.177920000000 0.307947000000 0.160770000000 0.038211000000 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 0.268349000000 -0.182928000000 4.376654000000 -1.569281000000 -0.446105000000 -0.092896000000 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 0.427709000000 -0.307828000000 -7.004054000000 -0.294516000000 -0.757646000000 -0.147395000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.330495000000 -0.218580000000 3.107103000000 2.771563000000 0.304677000000 -0.135903000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.130902000000 0.242215000000 1.730309000000 -1.001196000000 1.233131000000 0.016493000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.018989000000 0.576414000000 -2.575248000000 -1.531857000000 -0.028423000000 0.261901000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000796000000 0.342488000000 0.714512000000 1.007506000000 -0.800539000000 0.437923000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000462000000 0.057606000000 0.436911000000 0.276880000000 -0.156148000000 0.349136000000 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
126.394000000000 38.449300000000 14.021400000000 8.716830000000 4.335300000000 2.681440000000 1.681300000000 1.490430000000 0.800533000000 0.415727000000 0.207737000000 0.099432000000 0.044515000000 0.019900000000
0.000000000000 0.000000000000 0.000062000000 -0.000432000000 -0.000126000000 -0.000065000000 0.000742000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000447000000 0.000893000000 -0.000678000000 -0.000485000000 -0.002272000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.004672000000 -0.026541000000 -0.008496000000 -0.004764000000 0.046476000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.019734000000 0.080686000000 0.035722000000 0.020640000000 -0.139057000000 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 0.102752000000 -0.616919000000 -0.263028000000 -0.117983000000 1.553248000000 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 0.243718000000 -0.631203000000 -0.576340000000 -0.307306000000 -1.322849000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.314807000000 1.595959000000 0.080093000000 -0.304873000000 -1.197227000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.291327000000 -0.138520000000 0.788572000000 0.052701000000 2.572867000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.199960000000 -1.061802000000 0.211333000000 0.418288000000 -1.446702000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.089734000000 0.280080000000 -0.560351000000 0.429625000000 -0.353899000000 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
7.055700000000 3.209100000000 1.459600000000 0.663900000000 0.247300000000 0.092100000000
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
3.334800000000 1.832500000000 1.007000000000 0.400200000000 0.159000000000
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
3.255900000000 1.725700000000 0.718200000000 0.298900000000
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
3.220000000000 1.521100000000 0.718600000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
Ru:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
3
0 1 2
5 3 2
7 6 5
7.936570000000 5.984245000000 4.882220000000 1.103100216300 0.498188752610 0.106787113930 0.039191775872
-1.177208335000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.619705959200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.510658075560 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
3.754609000000 2.916571000000 1.032220956800 0.452495537740 0.169870421980 0.043000000000
-0.707778735630 0.000000000000 0.000000000000
0.749543914840 0.000000000000 0.000000000000
0.646606096450 0.000000000000 0.000000000000
0.270290868160 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.734184661900 2.248368629400 0.983769783590 0.403794455830 0.149786181730
-0.035266111560 0.000000000000
0.218025022220 0.000000000000
0.447095650130 0.000000000000
0.403717325080 0.000000000000
0.000000000000 1.000000000000
Ru:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 3 2 1
7 6 5 1
7.936570000000 5.984245000000 4.882220000000 1.103100216300 0.498188752610 0.106787113930 0.039191775872
-1.177208335000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.619705959200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.510658075560 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
3.754609000000 2.916571000000 1.032220956800 0.452495537740 0.169870421980 0.043000000000
-0.707778735630 0.000000000000 0.000000000000
0.749543914840 0.000000000000 0.000000000000
0.646606096450 0.000000000000 0.000000000000
0.270290868160 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
5.734184661900 2.248368629400 0.983769783590 0.403794455830 0.149786181730
-0.035266111560 0.000000000000
0.218025022220 0.000000000000
0.447095650130 0.000000000000
0.403717325080 0.000000000000
0.000000000000 1.000000000000
0.943140000000
1.000000000000
Ru:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 3 1
7 7 5 1
16.000000000000 13.910581694000 4.796797140700 1.155542559400 0.524557411820 0.107345726460 0.039432760192
-0.206340029190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335504377250 0.000000000000 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
11.187208671000 6.247768873400 1.627947285900 0.793264935380 0.367072768650 0.115000000000 0.037000000000
0.053225073263 0.000000000000 0.000000000000 0.000000000000
-0.227316620500 0.000000000000 0.000000000000 0.000000000000
0.478694860560 0.000000000000 0.000000000000 0.000000000000
0.502133115670 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
5.734184661900 2.248368629400 0.983769783590 0.403794455830 0.149786181730
-0.035266111560 0.000000000000 0.000000000000
0.218025022220 0.000000000000 0.000000000000
0.447095650130 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.943140000000
1.000000000000
Ru:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 4 3 2 1
7 7 5 2 1
16.000000000000 13.910581694000 4.796797140700 1.155542559400 0.524557411820 0.107345726460 0.039432760192
-0.206340029190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335504377250 0.000000000000 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
11.187208671000 6.247768873400 1.627947285900 0.793264935380 0.367072768650 0.115000000000 0.037000000000
0.053225073263 0.000000000000 0.000000000000 0.000000000000
-0.227316620500 0.000000000000 0.000000000000 0.000000000000
0.478694860560 0.000000000000 0.000000000000 0.000000000000
0.502133115670 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
5.734184661900 2.248368629400 0.983769783590 0.403794455830 0.149786181730
-0.035266111560 0.000000000000 0.000000000000
0.218025022220 0.000000000000 0.000000000000
0.447095650130 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.707790000000 0.484420000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.009300000000
1.000000000000
Ru:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
15.000000000000 13.500000000000 7.213086853000 4.540590122500 1.190497372300 0.543075315900 0.137005630390 0.073396375028 0.031250715458
0.402057070450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.594171673650 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.125410328540 0.000000000000 0.000000000000 0.000000000000 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
11.388100061000 6.159100566600 1.732043106300 1.019485740200 0.581314191110 0.272905302680 0.066000000000 0.022000000000
0.055871461629 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.258084468470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.429242653410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.433133530480 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
18.598247778000 6.788377375200 2.247079766700 1.088419542800 0.497878928860 0.214819682660 0.085666751170
0.003155685965 0.000000000000 0.000000000000 0.000000000000
-0.034551060293 0.000000000000 0.000000000000 0.000000000000
0.217085661580 0.000000000000 0.000000000000 0.000000000000
0.428341353070 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
2.824660000000 0.943140000000 0.314910000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.009300000000
1.000000000000
Ru:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
15.000000000000 13.500000000000 7.213086853000 4.540590122500 1.190497372300 0.543075315900 0.137005630390 0.073396375028 0.031250715458
0.402057070450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.594171673650 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.125410328540 0.000000000000 0.000000000000 0.000000000000 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
11.388100061000 6.159100566600 1.732043106300 1.019485740200 0.581314191110 0.272905302680 0.066000000000 0.022000000000
0.055871461629 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.258084468470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.429242653410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.433133530480 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
18.598247778000 6.788377375200 2.247079766700 1.088419542800 0.497878928860 0.214819682660 0.085666751170
0.003155685965 0.000000000000 0.000000000000 0.000000000000
-0.034551060293 0.000000000000 0.000000000000 0.000000000000
0.217085661580 0.000000000000 0.000000000000 0.000000000000
0.428341353070 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
2.824660000000 0.943140000000 0.314910000000 0.105150000000
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
1.708940000000 0.538730000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:def2-SVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
5 4 2 1
7 7 5 1
7.936570000000 5.984245000000 4.882220000000 1.103100216300 0.498188752610 0.106787113930 0.039191775872
-1.177208335000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.619705959200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.510658075560 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
3.754609000000 2.916571000000 1.032220956800 0.452495537740 0.169870421980 0.043000000000 0.085500000000
-0.707778735630 0.000000000000 0.000000000000 0.000000000000
0.749543914840 0.000000000000 0.000000000000 0.000000000000
0.646606096450 0.000000000000 0.000000000000 0.000000000000
0.270290868160 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
5.734184661900 2.248368629400 0.983769783590 0.403794455830 0.149786181730
-0.035266111560 0.000000000000
0.218025022220 0.000000000000
0.447095650130 0.000000000000
0.403717325080 0.000000000000
0.000000000000 1.000000000000
0.943140000000
1.000000000000
Ru:def2-TZVPD
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
6 4 3 1
7 7 5 1
16.000000000000 13.910581694000 4.796797140700 1.155542559400 0.524557411820 0.107345726460 0.039432760192
-0.206340029190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335504377250 0.000000000000 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
11.187208671000 6.247768873400 1.627947285900 0.793264935380 0.367072768650 0.115000000000 0.037000000000
0.053225073263 0.000000000000 0.000000000000 0.000000000000
-0.227316620500 0.000000000000 0.000000000000 0.000000000000
0.478694860560 0.000000000000 0.000000000000 0.000000000000
0.502133115670 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
5.734184661900 2.248368629400 0.983769783590 0.403794455830 0.149786181730
-0.035266111560 0.000000000000 0.000000000000
0.218025022220 0.000000000000 0.000000000000
0.447095650130 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
0.943140000000
1.000000000000
Ru:def2-TZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
6 4 3 2 1
7 7 5 2 1
16.000000000000 13.910581694000 4.796797140700 1.155542559400 0.524557411820 0.107345726460 0.039432760192
-0.206340029190 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.335504377250 0.000000000000 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
11.187208671000 6.247768873400 1.627947285900 0.793264935380 0.367072768650 0.115000000000 0.037000000000
0.053225073263 0.000000000000 0.000000000000 0.000000000000
-0.227316620500 0.000000000000 0.000000000000 0.000000000000
0.478694860560 0.000000000000 0.000000000000 0.000000000000
0.502133115670 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
5.734184661900 2.248368629400 0.983769783590 0.403794455830 0.149786181730
-0.035266111560 0.000000000000 0.000000000000
0.218025022220 0.000000000000 0.000000000000
0.447095650130 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.707790000000 0.484420000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
1.009300000000
1.000000000000
Ru:def2-QZVPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 3 1
9 8 7 3 1
15.000000000000 13.500000000000 7.213086853000 4.540590122500 1.190497372300 0.543075315900 0.137005630390 0.073396375028 0.031250715458
0.402057070450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.594171673650 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.125410328540 0.000000000000 0.000000000000 0.000000000000 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
11.388100061000 6.159100566600 1.732043106300 1.019485740200 0.581314191110 0.272905302680 0.066000000000 0.022000000000
0.055871461629 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.258084468470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.429242653410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.433133530480 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
18.598247778000 6.788377375200 2.247079766700 1.088419542800 0.497878928860 0.214819682660 0.085666751170
0.003155685965 0.000000000000 0.000000000000 0.000000000000
-0.034551060293 0.000000000000 0.000000000000 0.000000000000
0.217085661580 0.000000000000 0.000000000000 0.000000000000
0.428341353070 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
2.824660000000 0.943140000000 0.314910000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.009300000000
1.000000000000
Ru:def2-QZVPPD
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
7 5 4 4 2
9 8 7 4 2
15.000000000000 13.500000000000 7.213086853000 4.540590122500 1.190497372300 0.543075315900 0.137005630390 0.073396375028 0.031250715458
0.402057070450 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.594171673650 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.125410328540 0.000000000000 0.000000000000 0.000000000000 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
11.388100061000 6.159100566600 1.732043106300 1.019485740200 0.581314191110 0.272905302680 0.066000000000 0.022000000000
0.055871461629 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.258084468470 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.429242653410 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.433133530480 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
18.598247778000 6.788377375200 2.247079766700 1.088419542800 0.497878928860 0.214819682660 0.085666751170
0.003155685965 0.000000000000 0.000000000000 0.000000000000
-0.034551060293 0.000000000000 0.000000000000 0.000000000000
0.217085661580 0.000000000000 0.000000000000 0.000000000000
0.428341353070 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
2.824660000000 0.943140000000 0.314910000000 0.105150000000
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
1.708940000000 0.538730000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:LANL2DZ
Hay and Wadt's LANL2DZ Gaussian basis set
3
0 1 2
3 3 2
5 6 4
2.565000000000 1.508000000000 0.512900000000 0.136200000000 0.041700000000
-1.043105600000 0.877012800000 0.000000000000
1.331478600000 -1.263466000000 0.000000000000
0.561306500000 -0.838498700000 0.000000000000
0.000000000000 1.063777300000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.859000000000 1.219000000000 0.441300000000 0.572500000000 0.083000000000 0.025000000000
-0.094575500000 0.000000000000 0.000000000000
0.743479800000 0.000000000000 0.000000000000
0.366814400000 0.000000000000 0.000000000000
0.000000000000 -0.088086400000 0.000000000000
0.000000000000 1.028397000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
4.195000000000 1.377000000000 0.482800000000 0.150100000000
0.048572900000 0.000000000000
0.510522300000 0.000000000000
0.573002800000 0.000000000000
0.000000000000 1.000000000000
Ru:aug-cc-pwCVDZ-PP-RI
Hattig's auxiliary basis set
6
0 1 2 3 4 5
10 10 9 9 7 4
10 10 9 9 7 4
10.198800000000 7.336640000000 5.221110000000 2.618020000000 1.588210000000 0.844551000000 0.347948000000 0.169003000000 0.087647000000 0.045276000000
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
8.621890000000 6.027440000000 3.703950000000 2.625350000000 1.207130000000 0.851897000000 0.437685000000 0.219138000000 0.099003000000 0.047874000000
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
10.568500000000 5.421850000000 3.364140000000 1.673740000000 1.152990000000 0.566663000000 0.294707000000 0.132357000000 0.070151000000
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
10.687200000000 6.725890000000 3.405980000000 1.882290000000 1.237000000000 0.658213000000 0.298665000000 0.132412000000 0.059864000000
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
10.325500000000 3.724790000000 1.977560000000 1.248600000000 0.525257000000 0.214812000000 0.098342000000
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
4.056230000000 2.362520000000 1.285040000000 0.533517000000
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
Ru:aug-cc-pwCVTZ-PP-RI
Hattig's auxiliary basis set
7
0 1 2 3 4 5 6
12 12 11 10 9 6 4
12 12 11 10 9 6 4
62.376700000000 15.392400000000 6.876400000000 4.752590000000 3.684790000000 1.731920000000 0.983986000000 0.578119000000 0.227170000000 0.123444000000 0.069741000000 0.039464000000
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
23.958200000000 9.262980000000 5.581070000000 3.778600000000 2.496200000000 1.283570000000 0.736871000000 0.498727000000 0.252599000000 0.128386000000 0.062649000000 0.030639000000
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
8.812440000000 6.381450000000 4.716580000000 2.489060000000 1.626510000000 1.045460000000 0.676657000000 0.339865000000 0.196434000000 0.097816000000 0.049092000000
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
7.619330000000 5.511440000000 4.007870000000 2.205010000000 1.529630000000 0.781772000000 0.447821000000 0.204235000000 0.097763000000 0.053631000000
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
9.090570000000 4.621270000000 3.407360000000 2.065910000000 1.349830000000 0.788788000000 0.356042000000 0.224759000000 0.158879000000
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
5.567110000000 4.085560000000 2.252070000000 1.419710000000 0.767564000000 0.359290000000
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
3.894610000000 2.676180000000 1.478780000000 0.708787000000
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
Ru:aug-cc-pwCVQZ-PP-RI
Hattig's auxiliary basis set
8
0 1 2 3 4 5 6 7
13 13 12 11 11 8 6 4
13 13 12 11 11 8 6 4
51.932100000000 11.049100000000 6.719160000000 5.597450000000 4.387900000000 2.388140000000 1.280290000000 0.828370000000 0.431054000000 0.268000000000 0.140650000000 0.082456000000 0.048383000000
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 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
54.200800000000 17.184900000000 7.290330000000 5.671290000000 4.173890000000 2.601810000000 1.419910000000 1.034310000000 0.421154000000 0.271876000000 0.135227000000 0.089020000000 0.061503000000
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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
17.521500000000 8.035410000000 5.884510000000 4.442580000000 2.669400000000 1.441800000000 0.963884000000 0.641151000000 0.332614000000 0.168452000000 0.088783000000 0.046931000000
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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
9.020650000000 6.429650000000 5.043040000000 2.954700000000 1.889050000000 1.156170000000 0.605602000000 0.362562000000 0.178583000000 0.086176000000 0.041657000000
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
12.237700000000 8.204510000000 5.870970000000 3.766240000000 2.913400000000 1.634280000000 1.074720000000 0.594075000000 0.278271000000 0.130748000000 0.072410000000
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
9.588880000000 6.142220000000 3.904300000000 2.402680000000 1.464940000000 0.877379000000 0.510346000000 0.254442000000
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
8.293930000000 3.825160000000 3.127870000000 1.796340000000 0.915769000000 0.441236000000
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
4.095820000000 3.050350000000 1.637120000000 0.798156000000
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
Ru:aug-cc-pwCV5Z-PP-RI
Hattig's auxiliary basis set
9
0 1 2 3 4 5 6 7 8
14 14 13 12 12 9 7 5 4
14 14 13 12 12 9 7 5 4
62.175700000000 15.376700000000 8.912780000000 5.583490000000 3.968890000000 2.643270000000 1.618970000000 1.040360000000 0.676600000000 0.415917000000 0.247456000000 0.156744000000 0.080747000000 0.046342000000
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
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 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 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 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 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 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 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 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 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 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 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 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 0.000000000000 1.000000000000
44.944800000000 11.423500000000 8.409420000000 6.406200000000 4.890530000000 2.622410000000 1.735460000000 1.190210000000 0.757051000000 0.387425000000 0.235686000000 0.124920000000 0.063450000000 0.038285000000
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
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 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 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 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 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 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 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 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 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 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 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 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 0.000000000000 1.000000000000
23.085800000000 9.299830000000 7.068560000000 5.220920000000 3.203640000000 2.024930000000 1.166580000000 0.827130000000 0.481915000000 0.256659000000 0.154078000000 0.082575000000 0.047295000000
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 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
10.105900000000 7.355750000000 5.449740000000 3.382850000000 2.301580000000 1.455480000000 0.892586000000 0.547285000000 0.307577000000 0.158456000000 0.081322000000 0.041742000000
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
12.881200000000 8.474100000000 5.096820000000 3.540860000000 2.265180000000 1.624460000000 0.923907000000 0.626684000000 0.374074000000 0.202902000000 0.115055000000 0.065246000000
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
17.039400000000 8.630970000000 5.022620000000 3.307480000000 2.405940000000 1.506690000000 0.933023000000 0.456896000000 0.225283000000
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
6.759630000000 4.681950000000 2.696110000000 2.024730000000 1.286820000000 0.655956000000 0.329624000000
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
4.369360000000 3.301840000000 2.182910000000 1.076890000000 0.528126000000
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
4.837170000000 3.975530000000 2.065330000000 1.071360000000
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
Ru:def2-SV(P)-RI
Weigend's auxiliary basis set
5
0 1 2 3 4
8 6 6 3 2
8 7 6 5 4
6.738245280000 4.547549240000 2.661709920000 1.244119720000 0.769381630000 0.443960850000 0.207720310000 0.115345160000
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
18.202525570000 4.102961610000 2.282349180000 1.618023410000 0.515206430000 0.266542090000 0.097373840000
-0.059542050000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
1.006340710000 0.000000000000 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
4.656683500000 2.870049770000 1.573839360000 0.689265770000 0.417883130000 0.213072740000
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
5.717587890000 2.606436430000 1.427759120000 0.502323020000 0.208725520000
-0.273958310000 0.000000000000 0.000000000000
1.950687800000 0.000000000000 0.000000000000
0.379607420000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.071340200000 2.102341760000 0.781331260000 0.362546450000
0.866127540000 0.000000000000
1.791992380000 0.000000000000
0.419571850000 0.000000000000
0.000000000000 1.000000000000
Ru:def2-SVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 7 6 5 3 1
8 7 6 5 3 1
7.877000000000 4.055730000000 2.385010000000 1.390620000000 0.768453000000 0.418210000000 0.202283000000 0.114858000000
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
11.590000000000 4.548890000000 2.584660000000 1.438440000000 0.462222000000 0.267717000000 0.146369000000
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
5.371930000000 2.868990000000 1.639840000000 0.824366000000 0.321616000000 0.196136000000
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
4.094050000000 2.605000000000 1.106130000000 0.443673000000 0.192714000000
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
2.915590000000 1.679550000000 0.332087000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.711030000000
1.000000000000
Ru:def2-TZVP-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 7 6 5 3 2
8 7 6 5 3 2
8.001360000000 4.053930000000 2.364110000000 1.381690000000 0.768258000000 0.418217000000 0.202180000000 0.114843000000
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
7.975210000000 4.193200000000 2.485090000000 1.353170000000 0.659323000000 0.278240000000 0.146994000000
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
4.176750000000 3.219830000000 1.838650000000 0.751830000000 0.354420000000 0.214423000000
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
4.289590000000 2.714740000000 1.083090000000 0.469143000000 0.262200000000
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
2.326410000000 0.992035000000 0.338057000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.194050000000 1.207380000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:def2-TZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
8 7 6 5 4 3 1
8 7 6 5 4 3 1
8.054870000000 4.071100000000 2.370990000000 1.380860000000 0.767401000000 0.419806000000 0.203212000000 0.115111000000
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
7.935550000000 4.150950000000 2.472900000000 1.591640000000 0.528437000000 0.245271000000 0.134903000000
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
4.192820000000 3.215670000000 1.818270000000 0.756820000000 0.426312000000 0.228567000000
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
3.857710000000 2.938030000000 1.208440000000 0.598851000000 0.279141000000
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
2.684500000000 1.508050000000 0.674352000000 0.347741000000
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
3.093650000000 1.917400000000 0.816472000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.719760000000
1.000000000000
Ru:def2-QZVPP-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 9 8 7 5 5 2
10 9 8 7 5 5 2
5.003600000000 3.993450000000 3.027090000000 1.974560000000 0.994893000000 0.477814000000 0.267076000000 0.117052000000 0.065799000000 0.035657900000
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
7.758760000000 5.146610000000 3.284230000000 1.671490000000 0.935221000000 0.419740000000 0.204411000000 0.104135000000 0.039148800000
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
5.956260000000 4.087600000000 2.847170000000 1.508630000000 0.795783000000 0.387287000000 0.257581000000 0.132950000000
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
5.913180000000 3.965940000000 2.175240000000 1.129830000000 0.573055000000 0.300742000000 0.158320000000
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
3.331820000000 2.314000000000 0.950126000000 0.561634000000 0.224445000000
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
4.034980000000 2.672540000000 1.411130000000 0.645595000000 0.258420000000
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
2.773470000000 0.966762000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:def2-SVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
9 8 7 5 3 1
9 8 7 5 3 1
7.877000000000 4.055730000000 2.385010000000 1.390620000000 0.768453000000 0.418210000000 0.202283000000 0.114858000000 0.071423400000
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
11.590000000000 4.548890000000 2.584660000000 1.438440000000 0.462222000000 0.267717000000 0.146369000000 0.072781900000
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
5.371930000000 2.868990000000 1.639840000000 0.824366000000 0.321616000000 0.196136000000 0.080472200000
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
4.094050000000 2.605000000000 1.106130000000 0.443673000000 0.192714000000
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
2.915590000000 1.679550000000 0.332087000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.711030000000
1.000000000000
Ru:def2-TZVPD-RI
Weigend's auxiliary basis set
6
0 1 2 3 4 5
8 7 6 5 3 2
8 7 6 5 3 2
8.001360000000 4.053930000000 2.364110000000 1.381690000000 0.768258000000 0.418217000000 0.202180000000 0.114843000000
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
7.975210000000 4.193200000000 2.485090000000 1.353170000000 0.659323000000 0.278240000000 0.146994000000
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
4.176750000000 3.219830000000 1.838650000000 0.751830000000 0.354420000000 0.214423000000
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
4.289590000000 2.714740000000 1.083090000000 0.469143000000 0.262200000000
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
2.326410000000 0.992035000000 0.338057000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.194050000000 1.207380000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:def2-TZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
8 7 6 5 4 3 1
8 7 6 5 4 3 1
8.054870000000 4.071100000000 2.370990000000 1.380860000000 0.767401000000 0.419806000000 0.203212000000 0.115111000000
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
7.935550000000 4.150950000000 2.472900000000 1.591640000000 0.528437000000 0.245271000000 0.134903000000
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
4.192820000000 3.215670000000 1.818270000000 0.756820000000 0.426312000000 0.228567000000
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
3.857710000000 2.938030000000 1.208440000000 0.598851000000 0.279141000000
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
2.684500000000 1.508050000000 0.674352000000 0.347741000000
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
3.093650000000 1.917400000000 0.816472000000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.719760000000
1.000000000000
Ru:def2-QZVPPD-RI
Weigend's auxiliary basis set
7
0 1 2 3 4 5 6
10 9 8 7 5 5 2
10 9 8 7 5 5 2
5.003600000000 3.993450000000 3.027090000000 1.974560000000 0.994893000000 0.477814000000 0.267076000000 0.117052000000 0.065799000000 0.035657900000
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
7.758760000000 5.146610000000 3.284230000000 1.671490000000 0.935221000000 0.419740000000 0.204411000000 0.104135000000 0.039148800000
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
5.956260000000 4.087600000000 2.847170000000 1.508630000000 0.795783000000 0.387287000000 0.257581000000 0.132950000000
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
5.913180000000 3.965940000000 2.175240000000 1.129830000000 0.573055000000 0.300742000000 0.158320000000
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
3.331820000000 2.314000000000 0.950126000000 0.561634000000 0.224445000000
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
4.034980000000 2.672540000000 1.411130000000 0.645595000000 0.258420000000
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
2.773470000000 0.966762000000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:def2-QZVPP-RI-JK
Weigend's Coulomb/exchange fitting basis set
7
0 1 2 3 4 5 6
11 10 9 8 6 3 2
13 12 10 9 6 3 2
21.190796400000 13.076223200000 8.069099800000 4.979375000000 3.072775500000 1.896235800000 1.170196000000 0.722152600000 0.445658900000 0.275029200000 0.169729300000 0.104745600000 0.064642100000
0.018569573100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.084919807400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.996214734500 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
59.777294300000 33.198284700000 18.437546700000 10.239950700000 5.687206500000 3.158680200000 1.754353200000 0.974388600000 0.541190800000 0.300587400000 0.166952300000 0.092728700000
0.002758279400 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.011283131500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.083664170300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.996426309100 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
11.099656500000 6.026846500000 3.289708200000 1.803915400000 0.993041300000 0.548413300000 0.303621500000 0.168396400000 0.093497400000 0.051930400000
0.133947671700 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.990988406200 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
22.601536660000 12.110284600000 6.488864700000 3.048005900000 1.489997900000 0.660444100000 0.362459400000 0.182096200000 0.097478800000
0.108011595500 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-0.326647822100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 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
6.655362300000 3.075202800000 1.420973900000 0.656607400000 0.303410000000 0.140202400000
0.044354986000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.718786114200 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 -0.693814930100 0.000000000000 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
4.302188911600 1.868937962600 0.811895800000
1.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.984546258200 0.981941300000
1.000000000000 0.000000000000
0.000000000000 1.000000000000
Ru:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
5
0 1 2 3 4
8 5 5 2 3
11 5 5 3 3
26.676285600000 15.691932200000 9.510242700000 5.594260300000 3.210169300000 1.878800600000 1.105176800000 0.588428700000 0.248527200000 0.132323200000 0.077837200000
0.216504800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-1.692485700000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
5.149131500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
-5.832147100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -1.658995900000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 3.713602600000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 1.525079800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.738065300000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.169254100000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.021489900000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004781100000
8.713498900000 2.878413900000 0.937499500000 0.302792000000 0.097523600000
0.011356000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.034392300000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.048808700000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.002784300000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.001620100000
2.211550800000 1.086912700000 0.526683200000 0.253081200000 0.121272500000
0.007891300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.004175900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.002983000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.006612500000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000308400000
1.739736500000 0.748284100000 0.354230400000
-0.018194700000 0.000000000000
0.012230100000 0.000000000000
0.000000000000 -0.000769800000
2.507145600000 0.924144300000 0.338514400000
0.072971400000 0.000000000000 0.000000000000
0.000000000000 0.034720600000 0.000000000000
0.000000000000 0.000000000000 0.004238700000
Ru:def2-ECP-28
Stuttgart-Koeln ECP
*
NCORE = 28 LMAX =3
f-ul
-28.340616270000 2 11.360000000000
-4.944629230000 2 5.680000000000
s-ul
209.822971220000 2 11.105269300000
30.654726420000 2 5.414745400000
28.340616270000 2 11.360000000000
4.944629230000 2 5.680000000000
p-ul
146.336182280000 2 9.771270700000
24.127877230000 2 5.073990800000
28.340616270000 2 11.360000000000
4.944629230000 2 5.680000000000
d-ul
67.515896670000 2 7.671423100000
9.870104150000 2 4.136564700000
28.340616270000 2 11.360000000000
4.944629230000 2 5.680000000000
*
Ru:LANL2DZ-ECP-28
LANL2DZ ECP
*
NCORE = 28 LMAX =3
f-ul
-0.051527000000 0 554.379630300000
-20.181653600000 1 155.106687100000
-105.996691500000 2 48.497626300000
-42.216678800000 2 14.770159400000
-3.767502400000 2 5.207736300000
s-ul
2.957834400000 0 66.711806000000
25.374870700000 1 77.350363200000
536.126237200000 2 18.357144500000
-651.205722100000 2 11.840472700000
381.381694300000 2 8.117947900000
p-ul
4.965155700000 0 54.993791500000
23.886150100000 1 13.939921200000
464.463134400000 2 15.211824600000
-714.445178800000 2 10.546069100000
377.550359400000 2 7.553948600000
d-ul
3.035298800000 0 60.344459500000
23.290172300000 1 45.210030500000
146.092662000000 2 19.119007400000
28.912977000000 2 4.271209000000
*
Ru:MCDHF-ECP-28
Stuttgart-Koeln MCDFH ECP
*
NCORE = 28 LMAX =4
g-ul
0.000000000000 2 1.000000000000
s-ul
209.786493000000 2 11.500590000000
30.214307000000 2 5.068575000000
p-ul
48.751244000000 2 10.532634000000
97.496529000000 2 10.192010000000
7.860188000000 2 4.734892000000
15.329751000000 2 4.509065000000
d-ul
26.967506000000 2 8.877977000000
40.432303000000 2 8.766122000000
3.340758000000 2 3.170196000000
5.256352000000 2 3.228851000000
f-ul
-8.847525000000 2 7.820249000000
-11.835518000000 2 7.839647000000
*
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