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qp2/data/basis/6-31g-Blaudeau

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2019-01-25 11:39:31 +01:00
POTASSIUM
S 6
1 31478.7000000 0.00398387
2 4726.8900000 0.03050180
3 1075.4300000 0.15073800
4 303.3980000 0.51912900
5 98.3271000 1.03670000
6 33.6362000 0.76399000
S 3
1 65.6392000 -0.2824260
2 7.3162600 1.6914900
3 2.8902600 1.2965300
S 3
1 4.5459700 -0.00763436
2 0.7040410 0.0256357
3 0.2826690 0.0166069
S 1
1 0.0290582 1.0000000
S 1
1 0.0121116 1.0000000
P 5
1 361.2250000 0.0209065
2 84.6702000 0.1504360
3 26.4691000 0.5544010
4 9.2658100 1.0409000
5 3.3423400 0.6782530
P 3
1 1.6354600 0.2409020
2 0.8319680 0.2994240
3 0.4368420 0.4460790
P 1
1 0.1798370 1.0000000
D 3
1 10.0700000 0.0480790
2 2.5580000 0.2162930
3 0.7968000 0.4236910
CALCIUM
S 6
1 35138.7000000 0.00394825
2 5276.4100000 0.0302342
3 1200.4700000 0.1495200
4 338.7180000 0.5159730
5 109.8540000 1.0339500
6 37.6089000 0.7693790
S 3
1 73.1080000 -0.2826850
2 8.2407700 1.6796100
3 3.2959800 1.2803800
S 3
1 5.2341800 -0.00768686
2 0.8418720 0.02538240
3 0.3651030 0.01651220
S 1
1 0.0512224 1.0000000
S 1
1 0.0198250 1.0000000
P 5
1 413.1130000 0.0203270
2 96.9358000 0.1473030
3 30.3722000 0.5488720
4 10.6848000 1.0440700
5 3.8821300 0.6865350
P 3
1 1.9099100 0.2686680
2 0.9793250 0.2901870
3 0.5497690 0.4429810
P 1
1 0.2312330 1.0000000
D 3
1 10.9700000 0.0600080
2 2.7680000 0.2610100
3 0.8281000 0.5086920