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QuAcK/examples/basis.Ne.6-31g

22 lines
673 B
Plaintext

1 5
S 6
1 8425.8515300 0.0018843481
2 1268.5194000 0.0143368994
3 289.6214140 0.0701096233
4 81.8590040 0.2373732660
5 26.2515079 0.4730071260
6 9.09472051 0.3484012410
S 3
1 26.5321310 -0.1071183
2 6.1017550 -0.1461638
3 1.6962715 1.1277735
P 3
1 26.5321310 0.0719096
2 6.1017550 0.3495134
3 1.6962715 0.7199405
S 1
1 0.4458187 1.0000000
P 1
1 0.4458187 1.0000000