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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-14 01:53:49 +01:00
QuantumPackage/data/basis/cc-pwcvtz
2019-01-25 11:39:31 +01:00

818 lines
30 KiB
Plaintext

BORON
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CARBON
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NITROGEN
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OXYGEN
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FLUORINE
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NEON
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ALUMINUM
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SILICON
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PHOSPHORUS
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SULFUR
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F 1
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CHLORINE
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F 1
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F 1
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ARGON
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13 0.5204000 -0.727553E-02
S 13
1 545000.0000000 0.404990E-05
2 81640.0000000 0.313691E-04
3 18580.0000000 0.165646E-03
4 5261.0000000 0.691662E-03
5 1717.0000000 0.249790E-02
6 619.9000000 0.771074E-02
7 241.6000000 0.208714E-01
8 99.7900000 0.443965E-01
9 43.1500000 0.680224E-01
10 19.1400000 0.141350E-01
11 7.4880000 -0.207489E+00
12 3.2050000 -0.425045E+00
13 0.5204000 0.733627E+00
S 1
1 1.1960000 1.0000000
S 1
1 0.1954000 1.0000000
S 1
1 3.0470000 1.0000000
S 1
1 16.1210000 1.0000000
P 7
1 761.8000000 0.236976E-02
2 180.2000000 0.190199E-01
3 57.5000000 0.880807E-01
4 21.2400000 0.256377E+00
5 8.3880000 0.438711E+00
6 3.4160000 0.347569E+00
7 0.4523000 -0.523882E-02
P 7
1 761.8000000 -0.667211E-03
2 180.2000000 -0.532717E-02
3 57.5000000 -0.255494E-01
4 21.2400000 -0.757197E-01
5 8.3880000 -0.141133E+00
6 3.4160000 -0.932768E-01
7 0.4523000 0.562450E+00
P 1
1 1.2060000 1.0000000
P 1
1 0.1545000 1.0000000
P 1
1 3.6590000 1.0000000
P 1
1 8.9270000 1.0000000
D 1
1 0.4100000 1.0000000
D 1
1 1.2540000 1.0000000
D 1
1 4.1810000 1.0000000
D 1
1 15.8600000 1.0000000
F 1
1 0.8900000 1.0000000
F 1
1 3.5720000 1.0000000