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

520 lines
68 KiB
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Ho: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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Ho:def2-SVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
10 6 4 3 1
14 12 9 7 1
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Ho:def2-TZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
10 7 5 4 1
14 14 10 8 1
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Ho: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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Ho:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
0 1 2 3 4
11 8 6 5 2
16 18 11 10 3
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0.000000000000 -0.226673019300 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.000679288062 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 0.000000000000 0.000000000000 1.000000000000
657.259952670000 205.697575510000 79.184711798000 33.165674742000 13.137375946000 6.425877380300 3.198420026100 1.513758782900 0.602068663370 0.217864736200 0.072402553590
0.000473730379 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004004019346 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.019980406845 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.060362426569 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.133764787170 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.409411859510 0.000000000000 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
179.233477610000 64.496263135000 29.559712091000 14.176263657000 6.943224512000 3.362034626100 1.667951096300 0.936872065490 0.523740291550 0.221522421770
0.004675876275 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.047482056373 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.193782438070 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.384359320230 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.545446633980 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.572117485230 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 1.000000000000 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 0.000000000000 1.000000000000
13.123980000000 3.033490000000 0.498540000000
0.186910000000 0.000000000000
0.781390000000 0.000000000000
0.000000000000 1.000000000000
Ho:def2-QZVPP
Weigend and Ahlrichs' Gaussian basis set
6
0 1 2 3 4 5
11 8 6 5 3 1
16 18 11 10 6 1
104917.858770000006 17869.859204000000 4745.369864900000 1561.578549000000 568.178799150000 203.734086440000 52.251300995000 36.372433180000 17.855621633000 4.503563480800 2.277451313300 0.867742924180 0.381412845550 0.073809018209 0.031649168915 0.011221789920
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0.000386515100 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001517186052 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.004532079783 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.009438991317 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.012177452294 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 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
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657.259952670000 205.697575510000 79.184711798000 33.165674742000 13.137375946000 6.425877380300 3.198420026100 1.513758782900 0.602068663370 0.217864736200 0.072402553590
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0.133764787170 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
179.233477610000 64.496263135000 29.559712091000 14.176263657000 6.943224512000 3.362034626100 1.667951096300 0.936872065490 0.523740291550 0.221522421770
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0.193782438070 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.384359320230 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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22.247100000000 10.135900000000 4.618600000000 2.037500000000 0.834300000000 0.297900000000
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0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
3.000000000000
1.000000000000
Ho: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
4316.622816000000 2046.362269800000 983.111989400000 478.302967600000 235.487452900000 117.238406700000 58.975357600000 29.951578600000 15.344638900000 7.923388800000 4.120055300000 2.155485900000 1.133554400000 0.598678000000 0.317242700000 0.168510400000 0.089636500000 0.047703600000
0.069457500000 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
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0.136595900000 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
-0.075820200000 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
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0.000000000000 0.695194700000 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 -2.713704300000 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 9.281975600000 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 -29.557793900000 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 26.220291400000 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 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003031500000
7.503447100000 3.443516100000 1.580639800000 0.725660300000 0.333183600000 0.152990200000 0.070251200000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.010018000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.003911000000
18.265016300000 6.677261900000 2.473935100000 0.926302200000 0.349473600000 0.132454400000
0.001927200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 -0.006924100000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 -0.005696100000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.004801000000
27.847119700000 10.015869900000 3.639124100000 1.331911200000 0.489628800000 0.180259600000
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0.000000000000 -0.004412200000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.006678200000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.010620000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000851900000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002981000000
20.053895600000 6.193755500000 1.930479700000 0.605653500000 0.190766000000 0.060166100000
0.002182300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.001532800000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000209900000 0.000000000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000002000000 0.000000000000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 -0.000007700000 0.000000000000
0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000500000
15.206797100000 2.606989200000 0.782808800000
-0.001324600000 0.000000000000
0.000636200000 0.000000000000
0.000000000000 -0.000116800000
50.367133800000 19.897028900000 8.185901500000 3.472659400000 1.416107800000
0.028092200000 0.000000000000
0.052847600000 0.000000000000
0.036640300000 0.000000000000
0.011837000000 0.000000000000
0.000000000000 0.002447400000
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