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QuAcK/examples/basis.BH.STO-3G

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2019-03-19 10:18:03 +01:00
1 1
S 3 1.00
3.42525091 0.15432897
0.62391373 0.53532814
0.16885540 0.44463454
2 3
S 3 1.00
48.7911130 0.15432897
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2.4052670 0.44463454
S 3 1.00
2.2369561 -0.09996723
0.5198205 0.39951283
0.1690618 0.70011547
P 3 1.00
2.2369561 0.15591627
0.5198205 0.60768372
0.1690618 0.39195739