mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 18:13:51 +01:00
208 lines
6.6 KiB
Plaintext
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
|
|
|
|
|