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

522 lines
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Dy:def2-SV(P)
Weigend and Ahlrichs' Gaussian basis set
4
0 1 2 3
10 6 4 3
14 12 9 7
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Dy:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
5
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Dy:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
5
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10 7 5 4 1
14 14 10 8 1
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Dy:def2-TZVPP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
10 7 5 4 2
14 14 10 8 3
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Dy:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
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-0.051534485458 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.388845320340 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.625595646090 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.029800146823 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.144243917690 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.017211084326 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 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
631.217446440000 205.490281960000 81.288916436000 33.814328271000 12.586718103000 6.368751489400 3.241012385000 1.573414259800 0.649684006560 0.234098517910 0.076151385976
0.000404294271 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003052592850 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015216818343 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.049432307679 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.123357874930 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.401024777460 0.000000000000 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
164.587762450000 59.978084903000 27.341537222000 12.987758484000 6.301104213200 2.998128343500 1.430691335000 1.079779812900 0.549497257730 0.209071303250
0.005036720065 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.050746697634 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.202246961910 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.399755956810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.564775588490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.599995941520 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
12.470860000000 2.856910000000 0.478230000000
0.166420000000 0.000000000000
0.719990000000 0.000000000000
0.000000000000 1.000000000000
Dy:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
6
0 1 2 3 4 5
11 8 6 5 3 1
17 18 11 10 6 1
564101.589870000025 81740.159876999998 17796.408809000000 4830.351291000000 1536.958011100000 546.602699160000 201.070616870000 48.588603259000 30.637696471000 17.522081999000 4.122071361500 2.075253268700 0.787898519270 0.349712584750 0.070602319104 0.027638679913 0.011240250353
0.000012807760 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000102472488 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000564805681 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.002368539800 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.007514605916 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015699699416 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019111507979 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
631.217446440000 205.490281960000 81.288916436000 33.814328271000 12.586718103000 6.368751489400 3.241012385000 1.573414259800 0.649684006560 0.234098517910 0.076151385976
0.000404294271 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.003052592850 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.015216818343 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
164.587762450000 59.978084903000 27.341537222000 12.987758484000 6.301104213200 2.998128343500 1.430691335000 1.079779812900 0.549497257730 0.209071303250
0.005036720065 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.050746697634 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.202246961910 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.399755956810 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.564775588490 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.599995941520 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
21.158600000000 9.638100000000 4.395300000000 1.942600000000 0.798000000000 0.286600000000
0.040920000000 0.000000000000 0.000000000000
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0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
2.800000000000
1.000000000000
Dy:def2-QZVPP-RI-J
Weigend's Coulomb fitting basis set
7
0 1 2 3 4 5 6
14 7 6 6 5 2 2
18 7 6 6 6 3 5
9235.576776200000 4339.740017200000 2039.216810400000 971.932005900000 469.530097500000 229.728113800000 113.747612100000 56.949354100000 28.805928800000 14.707459300000 7.572878100000 3.928676400000 2.051533300000 1.077294700000 0.568307800000 0.300877200000 0.159701900000 0.084898800000
0.233112000000 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
0.081657400000 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
0.477575300000 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
0.344782400000 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
0.348495900000 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 -0.218371200000 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 0.958650400000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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49.393543200000 14.121822200000 4.431213200000 1.504563600000 0.542668500000 0.203327700000
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15.305216300000 3.226375400000 1.433300200000 0.569977200000 0.229035100000 0.092356100000
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0.000000000000 0.000000000000 -0.022829400000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.010256000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000224200000
26.888709400000 10.299650600000 3.969416200000 1.536507700000 0.596333600000 0.231646900000
0.035693500000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 -0.000321400000
1.455706700000 0.618821000000 0.263873400000
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0.000017200000 0.000000000000
0.000000000000 -0.000023400000
50.508511800000 21.116495200000 8.922427400000 3.794286900000 1.616999700000
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0.000000000000 -0.001131500000
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