LCPQ/quack
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quack/input/basis

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GIC functional
2020-04-06 19:40:42 +02:00
1 9
hartree ind energy
2020-04-01 23:15:57 +02:00
S 3
GIC functional
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1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
guess
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S 1
GIC functional
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1 0.3258000 1.0000000
guess
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S 1
GIC functional
2020-04-06 19:40:42 +02:00
1 0.1027000 1.0000000
S 1
1 0.0252600 1.0000000
P 1
1 1.4070000 1.0000000
guess
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P 1
GIC functional
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1 0.3880000 1.0000000
guess
2020-03-31 23:33:48 +02:00
P 1
GIC functional
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1 0.1020000 1.0000000
D 1
1 1.0570000 1.0000000
D 1
1 0.2470000 1.0000000
2 9
hartree ind energy
2020-04-01 23:15:57 +02:00
S 3
GIC functional
2020-04-06 19:40:42 +02:00
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
hartree ind energy
2020-04-01 23:15:57 +02:00
S 1
GIC functional
2020-04-06 19:40:42 +02:00
1 0.3258000 1.0000000
hartree ind energy
2020-04-01 23:15:57 +02:00
S 1
GIC functional
2020-04-06 19:40:42 +02:00
1 0.1027000 1.0000000
S 1
1 0.0252600 1.0000000
P 1
1 1.4070000 1.0000000
hartree ind energy
2020-04-01 23:15:57 +02:00
P 1
GIC functional
2020-04-06 19:40:42 +02:00
1 0.3880000 1.0000000
hartree ind energy
2020-04-01 23:15:57 +02:00
P 1
GIC functional
2020-04-06 19:40:42 +02:00
1 0.1020000 1.0000000
D 1
1 1.0570000 1.0000000
D 1
1 0.2470000 1.0000000
hartree ind energy
2020-04-01 23:15:57 +02:00
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