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QuAcK/examples/basis.H2.6-311g

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2020-10-05 16:58:19 +02:00
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S 3
1 33.8650000 0.0254938
2 5.0947900 0.1903730
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S 1
1 0.3258400 1.0000000
S 1
1 0.1027410 1.0000000
2 3
S 3
1 33.8650000 0.0254938
2 5.0947900 0.1903730
3 1.1587900 0.8521610
S 1
1 0.3258400 1.0000000
S 1
1 0.1027410 1.0000000