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QuAcK/examples/basis.LiH.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
16.1195750 0.15432897
2.9362007 0.53532814
0.7946505 0.44463454
S 3 1.00
0.6362897 -0.09996723
0.1478601 0.39951283
0.0480887 0.70011547
P 3 1.00
0.6362897 0.15591627
0.1478601 0.60768372
0.0480887 0.39195739