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mirror of https://github.com/pfloos/quack synced 2024-10-31 19:23:52 +01:00
quack/basis/dunning_tz
2020-01-17 13:57:03 +01:00

208 lines
6.6 KiB
Plaintext

HYDROGEN
S 3
1 74.6900000 0.0253740
2 11.2300000 0.1896840
3 2.5460000 0.8529330
S 1
1 0.7130000 1.0000000
S 1
1 0.2249000 1.0000000
LITHIUM
S 7
1 1783.0000000 0.0008240
2 267.1000000 0.0064030
3 60.0700000 0.0332390
4 16.7800000 0.1266210
5 5.4030000 0.3377490
6 1.9060000 0.5756690
7 0.2634000 0.0623110
S 1
1 0.7179000 1.0000000
S 1
1 0.0771600 1.0000000
S 1
1 0.0285400 1.0000000
BERYLLIUM
S 6
1 3630.0000000 0.0008390
2 532.3000000 0.0067350
3 117.8000000 0.0357260
4 32.6600000 0.1386350
5 10.4800000 0.3853990
6 3.6680000 0.5476880
S 2
1 3.6680000 0.2134060
2 1.3540000 0.8146920
S 1
1 0.3890000 1.0000000
S 1
1 0.1502000 1.0000000
S 1
1 0.0524100 1.0000000
BORON
S 6
1 6250.0000000 0.0007980
2 916.1000000 0.0064100
3 202.2000000 0.0342990
4 55.8300000 0.1354870
5 17.8600000 0.3885320
6 6.2530000 0.5477580
S 2
1 6.2530000 0.2326430
2 2.3120000 0.7972190
S 1
1 0.6824000 1.0000000
S 1
1 0.2604000 1.0000000
S 1
1 0.0894000 1.0000000
P 4
1 15.4600000 0.0168220
2 3.4830000 0.1008780
3 1.0660000 0.3368950
4 0.3928000 0.6723170
P 1
1 0.1503000 1.0000000
P 1
1 0.0572200 1.0000000
CARBON
S 6
1 9471.0000000 0.0007760
2 1398.0000000 0.0062180
3 307.5000000 0.0335750
4 84.5400000 0.1342780
5 26.9100000 0.3936680
6 9.4090000 0.5441690
S 2
1 9.4090000 0.2480750
2 3.5000000 0.7828440
S 1
1 1.0680000 1.0000000
S 1
1 0.4002000 1.0000000
S 1
1 0.1351000 1.0000000
P 4
1 25.3700000 0.0162950
2 5.7760000 0.1020980
3 1.7870000 0.3402280
4 0.6577000 0.6682690
P 1
1 0.2480000 1.0000000
P 1
1 0.0910600 1.0000000
NITROGEN
S 6
1 13520.0000000 0.0007600
2 1999.0000000 0.0060760
3 440.0000000 0.0328470
4 120.9000000 0.1323960
5 38.4700000 0.3932610
6 13.4600000 0.5463390
S 2
1 13.4600000 0.2520360
2 4.9930000 0.7793850
S 1
1 1.5690000 1.0000000
S 1
1 0.5800000 1.0000000
S 1
1 0.1923000 1.0000000
P 4
1 35.9100000 0.0169160
2 8.4800000 0.1022000
3 2.7060000 0.3381340
4 0.9921000 0.6692810
P 1
1 0.3727000 1.0000000
P 1
1 0.1346000 1.0000000
OXYGEN
S 6
1 18050.0000000 0.0007570
2 2660.0000000 0.0060660
3 585.7000000 0.0327820
4 160.9000000 0.1326090
5 51.1600000 0.3968390
6 17.9000000 0.5425720
S 2
1 17.9000000 0.2624900
2 6.6390000 0.7698280
S 1
1 2.0770000 1.0000000
S 1
1 0.7736000 1.0000000
S 1
1 0.2558000 1.0000000
P 4
1 49.8300000 0.0163580
2 11.4900000 0.1064530
3 3.6090000 0.3493020
4 1.3210000 0.6571830
P 1
1 0.4821000 1.0000000
P 1
1 0.1651000 1.0000000
FLUORINE
S 6
1 23340.0000000 0.0007570
2 3431.0000000 0.0060810
3 757.7000000 0.0326360
4 209.2000000 0.1317040
5 66.7300000 0.3962400
6 23.3700000 0.5436720
S 2
1 23.3700000 0.2648930
2 8.6240000 0.7679250
S 1
1 2.6920000 1.0000000
S 1
1 1.0090000 1.0000000
S 1
1 0.3312000 1.0000000
P 4
1 65.6600000 0.0160370
2 15.2200000 0.1056970
3 4.7880000 0.3502270
4 1.7320000 0.6581950
P 1
1 0.6206000 1.0000000
P 1
1 0.2070000 1.0000000
NEON
S 6
1 28660.0000000 0.0007670
2 4263.0000000 0.0060680
3 946.8000000 0.0324740
4 261.5000000 0.1314680
5 83.3400000 0.3977230
6 29.1700000 0.5424910
S 2
1 29.1700000 0.2690650
2 10.7600000 0.7641210
S 1
1 3.3430000 1.0000000
S 1
1 1.2410000 1.0000000
S 1
1 0.4063000 1.0000000
P 4
1 84.8400000 0.0155500
2 19.7100000 0.1030110
3 6.2190000 0.3492150
4 2.2110000 0.6628390
P 1
1 0.7853000 1.0000000
P 1
1 0.2566000 1.0000000