mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 11:03:29 +01:00
194 lines
5.8 KiB
Plaintext
194 lines
5.8 KiB
Plaintext
|
SODIUM
|
||
|
|
S 3
|
||
|
|
1 250.7724300 0.1543289673
|
||
|
|
2 45.6785110 0.5353281423
|
||
|
|
3 12.3623880 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 12.0401930 -0.0999672
|
||
|
|
2 2.7978819 0.3995128
|
||
|
|
3 0.9099580 0.7001155
|
||
|
|
P 3
|
||
|
|
1 12.0401930 0.1559163
|
||
|
|
2 2.7978819 0.6076837
|
||
|
|
3 0.9099580 0.3919574
|
||
|
|
S 3
|
||
|
|
1 1.4787406 -0.2196204
|
||
|
|
2 0.4125649 0.2255954
|
||
|
|
3 0.1614751 0.9003984
|
||
|
|
P 3
|
||
|
|
1 1.4787406 0.0105876
|
||
|
|
2 0.4125649 0.5951670
|
||
|
|
3 0.1614751 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.0900000 1.0000000
|
||
|
|
|
||
|
|
MAGNESIUM
|
||
|
|
S 3
|
||
|
|
1 299.2374000 0.1543289673
|
||
|
|
2 54.5064700 0.5353281423
|
||
|
|
3 14.7515800 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 15.1218200 -0.0999672
|
||
|
|
2 3.5139870 0.3995128
|
||
|
|
3 1.1428570 0.7001155
|
||
|
|
P 3
|
||
|
|
1 15.1218200 0.1559163
|
||
|
|
2 3.5139870 0.6076837
|
||
|
|
3 1.1428570 0.3919574
|
||
|
|
S 3
|
||
|
|
1 1.3954480 -0.2196204
|
||
|
|
2 0.3893260 0.2255954
|
||
|
|
3 0.1523800 0.9003984
|
||
|
|
P 3
|
||
|
|
1 1.3954480 0.0105876
|
||
|
|
2 0.3893260 0.5951670
|
||
|
|
3 0.1523800 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.0900000 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 3
|
||
|
|
1 351.4214767 0.1543289673
|
||
|
|
2 64.01186067 0.5353281423
|
||
|
|
3 17.32410761 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 18.8993962 -0.0999672
|
||
|
|
2 4.3918132 0.3995128
|
||
|
|
3 1.4283540 0.7001155
|
||
|
|
P 3
|
||
|
|
1 18.8993962 0.1559163
|
||
|
|
2 4.3918132 0.6076837
|
||
|
|
3 1.4283540 0.3919574
|
||
|
|
S 3
|
||
|
|
1 1.3954483 -0.2196204
|
||
|
|
2 0.3893265 0.2255954
|
||
|
|
3 0.1523798 0.9003984
|
||
|
|
P 3
|
||
|
|
1 1.3954483 0.0105876
|
||
|
|
2 0.3893265 0.5951670
|
||
|
|
3 0.1523798 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.3900000 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 3
|
||
|
|
1 407.7975514 0.1543289673
|
||
|
|
2 74.28083305 0.5353281423
|
||
|
|
3 20.10329229 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 23.1936561 -0.0999672
|
||
|
|
2 5.3897069 0.3995128
|
||
|
|
3 1.7529000 0.7001155
|
||
|
|
P 3
|
||
|
|
1 23.1936561 0.1559163
|
||
|
|
2 5.3897069 0.6076837
|
||
|
|
3 1.7529000 0.3919574
|
||
|
|
S 3
|
||
|
|
1 1.4787406 -0.2196204
|
||
|
|
2 0.4125649 0.2255954
|
||
|
|
3 0.1614751 0.9003984
|
||
|
|
P 3
|
||
|
|
1 1.4787406 0.0105876
|
||
|
|
2 0.4125649 0.5951670
|
||
|
|
3 0.1614751 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.3900000 1.0000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 3
|
||
|
|
1 468.3656378 0.1543289673
|
||
|
|
2 85.31338559 0.5353281423
|
||
|
|
3 23.08913156 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 28.0326396 -0.0999672
|
||
|
|
2 6.5141826 0.3995128
|
||
|
|
3 2.1186144 0.7001155
|
||
|
|
P 3
|
||
|
|
1 28.0326396 0.1559163
|
||
|
|
2 6.5141826 0.6076837
|
||
|
|
3 2.1186144 0.3919574
|
||
|
|
S 3
|
||
|
|
1 1.7431032 -0.2196204
|
||
|
|
2 0.4863214 0.2255954
|
||
|
|
3 0.1903429 0.9003984
|
||
|
|
P 3
|
||
|
|
1 1.7431032 0.0105876
|
||
|
|
2 0.4863214 0.5951670
|
||
|
|
3 0.1903429 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.3900000 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 3
|
||
|
|
1 533.1257359 0.1543289673
|
||
|
|
2 97.10951830 0.5353281423
|
||
|
|
3 26.28162542 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 33.3297517 -0.0999672
|
||
|
|
2 7.7451175 0.3995128
|
||
|
|
3 2.5189526 0.7001155
|
||
|
|
P 3
|
||
|
|
1 33.3297517 0.1559163
|
||
|
|
2 7.7451175 0.6076837
|
||
|
|
3 2.5189526 0.3919574
|
||
|
|
S 3
|
||
|
|
1 2.0291943 -0.2196204
|
||
|
|
2 0.5661401 0.2255954
|
||
|
|
3 0.2215834 0.9003984
|
||
|
|
P 3
|
||
|
|
1 2.0291943 0.0105876
|
||
|
|
2 0.5661401 0.5951670
|
||
|
|
3 0.2215834 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.3900000 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 3
|
||
|
|
1 601.3456136 0.1543289673
|
||
|
|
2 109.5358542 0.5353281423
|
||
|
|
3 29.64467686 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 38.9604189 -0.0999672
|
||
|
|
2 9.0535635 0.3995128
|
||
|
|
3 2.9444998 0.7001155
|
||
|
|
P 3
|
||
|
|
1 38.9604189 0.1559163
|
||
|
|
2 9.0535635 0.6076837
|
||
|
|
3 2.9444998 0.3919574
|
||
|
|
S 3
|
||
|
|
1 2.1293865 -0.2196204
|
||
|
|
2 0.5940934 0.2255954
|
||
|
|
3 0.2325241 0.9003984
|
||
|
|
P 3
|
||
|
|
1 2.1293865 0.0105876
|
||
|
|
2 0.5940934 0.5951670
|
||
|
|
3 0.2325241 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.3900000 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 3
|
||
|
|
1 674.4465184 0.1543289673
|
||
|
|
2 122.8512753 0.5353281423
|
||
|
|
3 33.24834945 0.4446345422
|
||
|
|
S 3
|
||
|
|
1 45.1642439 -0.0999672
|
||
|
|
2 10.4951990 0.3995128
|
||
|
|
3 3.4133644 0.7001155
|
||
|
|
P 3
|
||
|
|
1 45.1642439 0.1559163
|
||
|
|
2 10.4951990 0.6076837
|
||
|
|
3 3.4133644 0.3919574
|
||
|
|
S 3
|
||
|
|
1 2.6213665 -0.2196204
|
||
|
|
2 0.7313546 0.2255954
|
||
|
|
3 0.2862472 0.9003984
|
||
|
|
P 3
|
||
|
|
1 2.6213665 0.0105876
|
||
|
|
2 0.7313546 0.5951670
|
||
|
|
3 0.2862472 0.4620010
|
||
|
|
D 1
|
||
|
|
1 0.3900000 1.0000000
|
||
|
|
|
||
|
|
|