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

520 lines
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Pm: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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Pm: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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Pm: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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Pm: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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Pm:def2-QZVP
Weigend and Ahlrichs' Gaussian basis set
5
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11 8 6 5 2
16 18 11 10 3
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
595.740089250000 193.096964650000 80.046899000000 41.801970074000 9.284122203500 6.561879551400 3.176795216200 1.478769364700 0.595780369200 0.222080734120 0.075915004315
0.000111958482 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.011902527010 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.353130222310 0.000000000000 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
157.813454120000 58.276131007000 27.355505927000 13.394670219000 6.768275597600 3.364199171800 1.678079460700 0.838255787840 0.407655420240 0.175427174230
0.003155723369 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.336319852680 0.000000000000 0.000000000000 0.000000000000 0.000000000000
0.554124554760 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 1.000000000000
11.272420000000 2.474940000000 0.451870000000
0.068120000000 0.000000000000
0.457440000000 0.000000000000
0.000000000000 1.000000000000
Pm: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
171857.151030000008 25926.773825000000 6014.550263700000 1704.297716900000 553.622695750000 186.360654410000 40.979326743000 26.943620151000 13.920657033000 3.512505808700 1.857781555800 0.739778006450 0.334865721950 0.076278739153 0.037612601671 0.015384156491
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157.813454120000 58.276131007000 27.355505927000 13.394670219000 6.768275597600 3.364199171800 1.678079460700 0.838255787840 0.407655420240 0.175427174230
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20.494900000000 9.310300000000 4.235100000000 1.860400000000 0.758500000000 0.269200000000
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0.000000000000 1.000000000000 0.000000000000
0.000000000000 0.000000000000 1.000000000000
1.800000000000
1.000000000000
Pm: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
49690.317349999998 12422.579336999999 3105.644834400000 776.411208600000 388.205604300000 194.102802100000 97.051401100000 48.525700500000 24.262850300000 12.131425100000 6.065712600000 3.032856300000 1.516428100000 0.758214100000 0.379107000000 0.189553500000 0.094776800000 0.047388400000
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0.013816700000 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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0.141940400000 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 -0.362515100000 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 0.000000000000 0.000000000000 -3.603811300000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.000000000000
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29.407688500000 10.844564400000 3.671915000000 1.308511500000 0.529417000000 0.194543400000
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0.000000000000 0.000000000000 0.000000000000 0.000000000000 0.002927300000 0.000000000000
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22.562611600000 8.747320700000 3.461978600000 1.390885900000 0.563919100000 0.229334600000
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10.145728100000 2.103713700000 0.606223600000
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0.000897100000 0.000000000000
0.000000000000 0.000308600000
39.029672300000 15.331111500000 6.462332800000 2.777506000000 1.111301100000
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0.000000000000 -0.002009700000
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