mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 11:03:29 +01:00
1384 lines
48 KiB
Plaintext
1384 lines
48 KiB
Plaintext
|
BORON
|
||
|
|
S 9
|
||
|
|
1 23870.0000000 0.0000880
|
||
|
|
2 3575.0000000 0.0006870
|
||
|
|
3 812.8000000 0.0036000
|
||
|
|
4 229.7000000 0.0149490
|
||
|
|
5 74.6900000 0.0514350
|
||
|
|
6 26.8100000 0.1433020
|
||
|
|
7 10.3200000 0.3009350
|
||
|
|
8 4.1780000 0.4035260
|
||
|
|
9 1.7270000 0.2253400
|
||
|
|
S 9
|
||
|
|
1 23870.0000000 -0.0000180
|
||
|
|
2 3575.0000000 -0.0001390
|
||
|
|
3 812.8000000 -0.0007250
|
||
|
|
4 229.7000000 -0.0030630
|
||
|
|
5 74.6900000 -0.0105810
|
||
|
|
6 26.8100000 -0.0313650
|
||
|
|
7 10.3200000 -0.0710120
|
||
|
|
8 4.1780000 -0.1321030
|
||
|
|
9 1.7270000 -0.1230720
|
||
|
|
S 1
|
||
|
|
1 0.4704000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1896000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0739400 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.7680000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 10.4140000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 28.7880000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0272100 1.0000000
|
||
|
|
P 3
|
||
|
|
1 22.2600000 0.0050950
|
||
|
|
2 5.0580000 0.0332060
|
||
|
|
3 1.4870000 0.1323140
|
||
|
|
P 1
|
||
|
|
1 0.5071000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1812000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0646300 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.8470000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 11.9250000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 36.9710000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0187800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.1100000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4020000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1450000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.7180000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 16.5740000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0466000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8820000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3110000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.6920000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1130000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6730000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2730000 1.0000000
|
||
|
|
|
||
|
|
CARBON
|
||
|
|
S 9
|
||
|
|
1 33980.0000000 0.0000910
|
||
|
|
2 5089.0000000 0.0007040
|
||
|
|
3 1157.0000000 0.0036930
|
||
|
|
4 326.6000000 0.0153600
|
||
|
|
5 106.1000000 0.0529290
|
||
|
|
6 38.1100000 0.1470430
|
||
|
|
7 14.7500000 0.3056310
|
||
|
|
8 6.0350000 0.3993450
|
||
|
|
9 2.5300000 0.2170510
|
||
|
|
S 9
|
||
|
|
1 33980.0000000 -0.0000190
|
||
|
|
2 5089.0000000 -0.0001510
|
||
|
|
3 1157.0000000 -0.0007850
|
||
|
|
4 326.6000000 -0.0033240
|
||
|
|
5 106.1000000 -0.0115120
|
||
|
|
6 38.1100000 -0.0341600
|
||
|
|
7 14.7500000 -0.0771730
|
||
|
|
8 6.0350000 -0.1414930
|
||
|
|
9 2.5300000 -0.1180190
|
||
|
|
S 1
|
||
|
|
1 0.7355000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2905000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1111000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 5.5840000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 15.1090000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 40.8810000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0414500 1.0000000
|
||
|
|
P 3
|
||
|
|
1 34.5100000 0.0053780
|
||
|
|
2 7.9150000 0.0361320
|
||
|
|
3 2.3680000 0.1424930
|
||
|
|
P 1
|
||
|
|
1 0.8132000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2890000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1007000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 5.9960000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 18.0570000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 54.3820000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0321800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.8480000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6490000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2280000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.8880000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 22.8040000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0766000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.4190000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4850000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 6.1160000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1870000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.0110000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.4240000 1.0000000
|
||
|
|
|
||
|
|
NITROGEN
|
||
|
|
S 9
|
||
|
|
1 45840.0000000 0.0000920
|
||
|
|
2 6868.0000000 0.0007170
|
||
|
|
3 1563.0000000 0.0037490
|
||
|
|
4 442.4000000 0.0155320
|
||
|
|
5 144.3000000 0.0531460
|
||
|
|
6 52.1800000 0.1467870
|
||
|
|
7 20.3400000 0.3046630
|
||
|
|
8 8.3810000 0.3976840
|
||
|
|
9 3.5290000 0.2176410
|
||
|
|
S 9
|
||
|
|
1 45840.0000000 -0.0000200
|
||
|
|
2 6868.0000000 -0.0001590
|
||
|
|
3 1563.0000000 -0.0008240
|
||
|
|
4 442.4000000 -0.0034780
|
||
|
|
5 144.3000000 -0.0119660
|
||
|
|
6 52.1800000 -0.0353880
|
||
|
|
7 20.3400000 -0.0800770
|
||
|
|
8 8.3810000 -0.1467220
|
||
|
|
9 3.5290000 -0.1163600
|
||
|
|
S 1
|
||
|
|
1 1.0540000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.4118000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1552000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 7.8290000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 20.7350000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 54.9170000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0546400 1.0000000
|
||
|
|
P 3
|
||
|
|
1 49.3300000 0.0055330
|
||
|
|
2 11.3700000 0.0379620
|
||
|
|
3 3.4350000 0.1490280
|
||
|
|
P 1
|
||
|
|
1 1.1820000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.4173000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1428000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 8.5540000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 25.1900000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 74.1850000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0440200 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.8370000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.9680000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3350000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 8.6930000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 31.1670000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1110000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.0270000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6850000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 8.9720000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2450000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.4270000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.5590000 1.0000000
|
||
|
|
|
||
|
|
OXYGEN
|
||
|
|
S 9
|
||
|
|
1 61420.0000000 0.0000900
|
||
|
|
2 9199.0000000 0.0006980
|
||
|
|
3 2091.0000000 0.0036640
|
||
|
|
4 590.9000000 0.0152180
|
||
|
|
5 192.3000000 0.0524230
|
||
|
|
6 69.3200000 0.1459210
|
||
|
|
7 26.9700000 0.3052580
|
||
|
|
8 11.1000000 0.3985080
|
||
|
|
9 4.6820000 0.2169800
|
||
|
|
S 9
|
||
|
|
1 61420.0000000 -0.0000200
|
||
|
|
2 9199.0000000 -0.0001590
|
||
|
|
3 2091.0000000 -0.0008290
|
||
|
|
4 590.9000000 -0.0035080
|
||
|
|
5 192.3000000 -0.0121560
|
||
|
|
6 69.3200000 -0.0362610
|
||
|
|
7 26.9700000 -0.0829920
|
||
|
|
8 11.1000000 -0.1520900
|
||
|
|
9 4.6820000 -0.1153310
|
||
|
|
S 1
|
||
|
|
1 1.4280000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.5547000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2067000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 10.4780000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 27.3140000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 71.2060000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0695900 1.0000000
|
||
|
|
P 3
|
||
|
|
1 63.4200000 0.0060440
|
||
|
|
2 14.6600000 0.0417990
|
||
|
|
3 4.4590000 0.1611430
|
||
|
|
P 1
|
||
|
|
1 1.5310000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.5302000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1750000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 11.1610000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 32.4590000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 94.3980000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0534800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.7750000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.3000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4440000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 11.4690000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 39.2390000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1540000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.6660000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8590000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 12.1630000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3240000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.8460000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.7140000 1.0000000
|
||
|
|
|
||
|
|
FLUORINE
|
||
|
|
S 9
|
||
|
|
1 74530.0000000 0.0000950
|
||
|
|
2 11170.0000000 0.0007380
|
||
|
|
3 2543.0000000 0.0038580
|
||
|
|
4 721.0000000 0.0159260
|
||
|
|
5 235.9000000 0.0542890
|
||
|
|
6 85.6000000 0.1495130
|
||
|
|
7 33.5500000 0.3082520
|
||
|
|
8 13.9300000 0.3948530
|
||
|
|
9 5.9150000 0.2110310
|
||
|
|
S 9
|
||
|
|
1 74530.0000000 -0.0000220
|
||
|
|
2 11170.0000000 -0.0001720
|
||
|
|
3 2543.0000000 -0.0008910
|
||
|
|
4 721.0000000 -0.0037480
|
||
|
|
5 235.9000000 -0.0128620
|
||
|
|
6 85.6000000 -0.0380610
|
||
|
|
7 33.5500000 -0.0862390
|
||
|
|
8 13.9300000 -0.1558650
|
||
|
|
9 5.9150000 -0.1109140
|
||
|
|
S 1
|
||
|
|
1 1.8430000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.7124000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2637000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 13.4540000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 34.5810000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 88.8800000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0859400 1.0000000
|
||
|
|
P 3
|
||
|
|
1 80.3900000 0.0063470
|
||
|
|
2 18.6300000 0.0442040
|
||
|
|
3 5.6940000 0.1685140
|
||
|
|
P 1
|
||
|
|
1 1.9530000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.6702000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2166000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 14.2300000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 40.8620000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 117.3390000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0656800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.0140000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.7250000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5860000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 15.0000000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 49.6100000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2070000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.5620000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.1480000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 16.1680000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4600000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.3760000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.9240000 1.0000000
|
||
|
|
|
||
|
|
NEON
|
||
|
|
S 9
|
||
|
|
1 99920.0000000 0.0000860
|
||
|
|
2 14960.0000000 0.0006690
|
||
|
|
3 3399.0000000 0.0035180
|
||
|
|
4 958.9000000 0.0146670
|
||
|
|
5 311.2000000 0.0509620
|
||
|
|
6 111.7000000 0.1437440
|
||
|
|
7 43.3200000 0.3045620
|
||
|
|
8 17.8000000 0.4001050
|
||
|
|
9 7.5030000 0.2186440
|
||
|
|
S 9
|
||
|
|
1 99920.0000000 -0.0000200
|
||
|
|
2 14960.0000000 -0.0001580
|
||
|
|
3 3399.0000000 -0.0008240
|
||
|
|
4 958.9000000 -0.0035000
|
||
|
|
5 311.2000000 -0.0122330
|
||
|
|
6 111.7000000 -0.0370170
|
||
|
|
7 43.3200000 -0.0861130
|
||
|
|
8 17.8000000 -0.1583810
|
||
|
|
9 7.5030000 -0.1142880
|
||
|
|
S 1
|
||
|
|
1 2.3370000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.9001000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.3301000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 16.9230000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 42.9230000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 108.8700000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1054000 1.0000000
|
||
|
|
P 3
|
||
|
|
1 99.6800000 0.0065660
|
||
|
|
2 23.1500000 0.0459790
|
||
|
|
3 7.1080000 0.1734190
|
||
|
|
P 1
|
||
|
|
1 2.4410000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.8339000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2662000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 17.7240000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 50.2910000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 142.7010000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0817800 1.0000000
|
||
|
|
D 1
|
||
|
|
1 6.4710000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.2130000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7470000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 19.1040000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 61.5550000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2730000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 4.6570000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.5240000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 20.8770000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.6890000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.9830000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.2240000 1.0000000
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 13
|
||
|
|
1 419600.0000000 0.278219E-04
|
||
|
|
2 62830.0000000 0.216330E-03
|
||
|
|
3 14290.0000000 0.113754E-02
|
||
|
|
4 4038.0000000 0.479635E-02
|
||
|
|
5 1312.0000000 0.172389E-01
|
||
|
|
6 470.5000000 0.538066E-01
|
||
|
|
7 181.8000000 0.141326E+00
|
||
|
|
8 74.4600000 0.289268E+00
|
||
|
|
9 31.9000000 0.384825E+00
|
||
|
|
10 13.9600000 0.232852E+00
|
||
|
|
11 5.1800000 0.293330E-01
|
||
|
|
12 2.2650000 -0.300574E-02
|
||
|
|
13 0.9664000 0.166673E-02
|
||
|
|
S 13
|
||
|
|
1 419600.0000000 -0.723754E-05
|
||
|
|
2 62830.0000000 -0.561733E-04
|
||
|
|
3 14290.0000000 -0.296528E-03
|
||
|
|
4 4038.0000000 -0.124913E-02
|
||
|
|
5 1312.0000000 -0.455101E-02
|
||
|
|
6 470.5000000 -0.144393E-01
|
||
|
|
7 181.8000000 -0.403464E-01
|
||
|
|
8 74.4600000 -0.922618E-01
|
||
|
|
9 31.9000000 -0.164510E+00
|
||
|
|
10 13.9600000 -0.141296E+00
|
||
|
|
11 5.1800000 0.195365E+00
|
||
|
|
12 2.2650000 0.572475E+00
|
||
|
|
13 0.9664000 0.374041E+00
|
||
|
|
S 13
|
||
|
|
1 419600.0000000 0.167150E-05
|
||
|
|
2 62830.0000000 0.129641E-04
|
||
|
|
3 14290.0000000 0.685101E-04
|
||
|
|
4 4038.0000000 0.288274E-03
|
||
|
|
5 1312.0000000 0.105276E-02
|
||
|
|
6 470.5000000 0.333878E-02
|
||
|
|
7 181.8000000 0.939217E-02
|
||
|
|
8 74.4600000 0.216047E-01
|
||
|
|
9 31.9000000 0.395873E-01
|
||
|
|
10 13.9600000 0.349180E-01
|
||
|
|
11 5.1800000 -0.528415E-01
|
||
|
|
12 2.2650000 -0.191878E+00
|
||
|
|
13 0.9664000 -0.254115E+00
|
||
|
|
S 1
|
||
|
|
1 0.2447000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1184000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0502100 1.0000000
|
||
|
|
S 1
|
||
|
|
1 1.7940000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.9160000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 8.5490000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0183000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 891.3000000 0.491755E-03
|
||
|
|
2 211.3000000 0.415843E-02
|
||
|
|
3 68.2800000 0.212538E-01
|
||
|
|
4 25.7000000 0.764058E-01
|
||
|
|
5 10.6300000 0.194277E+00
|
||
|
|
6 4.6020000 0.334428E+00
|
||
|
|
7 2.0150000 0.375026E+00
|
||
|
|
8 0.8706000 0.204041E+00
|
||
|
|
P 8
|
||
|
|
1 891.3000000 -0.888695E-04
|
||
|
|
2 211.3000000 -0.745823E-03
|
||
|
|
3 68.2800000 -0.387025E-02
|
||
|
|
4 25.7000000 -0.139350E-01
|
||
|
|
5 10.6300000 -0.366860E-01
|
||
|
|
6 4.6020000 -0.627797E-01
|
||
|
|
7 2.0150000 -0.789602E-01
|
||
|
|
8 0.8706000 -0.288589E-01
|
||
|
|
P 1
|
||
|
|
1 0.2972000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1100000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0398900 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.0490000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 4.4680000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 9.7400000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0121000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0804000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1990000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4940000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.3790000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.8870000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 10.9600000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0282000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1540000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4010000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.4630000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 6.8140000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.0582000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.3570000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.6450000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.1530000 1.0000000
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 13
|
||
|
|
1 513000.0000000 0.260920E-04
|
||
|
|
2 76820.0000000 0.202905E-03
|
||
|
|
3 17470.0000000 0.106715E-02
|
||
|
|
4 4935.0000000 0.450597E-02
|
||
|
|
5 1602.0000000 0.162359E-01
|
||
|
|
6 574.1000000 0.508913E-01
|
||
|
|
7 221.5000000 0.135155E+00
|
||
|
|
8 90.5400000 0.281292E+00
|
||
|
|
9 38.7400000 0.385336E+00
|
||
|
|
10 16.9500000 0.245651E+00
|
||
|
|
11 6.4520000 0.343145E-01
|
||
|
|
12 2.8740000 -0.334884E-02
|
||
|
|
13 1.2500000 0.187625E-02
|
||
|
|
S 13
|
||
|
|
1 513000.0000000 -0.694880E-05
|
||
|
|
2 76820.0000000 -0.539641E-04
|
||
|
|
3 17470.0000000 -0.284716E-03
|
||
|
|
4 4935.0000000 -0.120203E-02
|
||
|
|
5 1602.0000000 -0.438397E-02
|
||
|
|
6 574.1000000 -0.139776E-01
|
||
|
|
7 221.5000000 -0.393516E-01
|
||
|
|
8 90.5400000 -0.914283E-01
|
||
|
|
9 38.7400000 -0.165609E+00
|
||
|
|
10 16.9500000 -0.152505E+00
|
||
|
|
11 6.4520000 0.168524E+00
|
||
|
|
12 2.8740000 0.569284E+00
|
||
|
|
13 1.2500000 0.398056E+00
|
||
|
|
S 13
|
||
|
|
1 513000.0000000 0.178068E-05
|
||
|
|
2 76820.0000000 0.138148E-04
|
||
|
|
3 17470.0000000 0.730005E-04
|
||
|
|
4 4935.0000000 0.307666E-03
|
||
|
|
5 1602.0000000 0.112563E-02
|
||
|
|
6 574.1000000 0.358435E-02
|
||
|
|
7 221.5000000 0.101728E-01
|
||
|
|
8 90.5400000 0.237520E-01
|
||
|
|
9 38.7400000 0.443483E-01
|
||
|
|
10 16.9500000 0.419041E-01
|
||
|
|
11 6.4520000 -0.502504E-01
|
||
|
|
12 2.8740000 -0.216578E+00
|
||
|
|
13 1.2500000 -0.286448E+00
|
||
|
|
S 1
|
||
|
|
1 0.3599000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1699000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0706600 1.0000000
|
||
|
|
S 1
|
||
|
|
1 2.4200000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 5.1220000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 10.8420000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0275000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 1122.0000000 0.448143E-03
|
||
|
|
2 266.0000000 0.381639E-02
|
||
|
|
3 85.9200000 0.198105E-01
|
||
|
|
4 32.3300000 0.727017E-01
|
||
|
|
5 13.3700000 0.189839E+00
|
||
|
|
6 5.8000000 0.335672E+00
|
||
|
|
7 2.5590000 0.379365E+00
|
||
|
|
8 1.1240000 0.201193E+00
|
||
|
|
P 8
|
||
|
|
1 1122.0000000 -0.964883E-04
|
||
|
|
2 266.0000000 -0.811971E-03
|
||
|
|
3 85.9200000 -0.430087E-02
|
||
|
|
4 32.3300000 -0.157502E-01
|
||
|
|
5 13.3700000 -0.429541E-01
|
||
|
|
6 5.8000000 -0.752574E-01
|
||
|
|
7 2.5590000 -0.971446E-01
|
||
|
|
8 1.1240000 -0.227507E-01
|
||
|
|
P 1
|
||
|
|
1 0.3988000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1533000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0572800 1.0000000
|
||
|
|
P 1
|
||
|
|
1 2.5620000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 5.4680000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 11.6700000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0200000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1200000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3020000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7600000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.9700000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 5.4720000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 15.1950000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0435000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2120000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5410000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.8570000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 8.5370000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.0846000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.4610000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.9340000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2120000 1.0000000
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 13
|
||
|
|
1 615200.0000000 0.247450E-04
|
||
|
|
2 92120.0000000 0.192465E-03
|
||
|
|
3 20950.0000000 0.101202E-02
|
||
|
|
4 5920.0000000 0.427261E-02
|
||
|
|
5 1922.0000000 0.154161E-01
|
||
|
|
6 688.0000000 0.485976E-01
|
||
|
|
7 265.0000000 0.130060E+00
|
||
|
|
8 108.2000000 0.274514E+00
|
||
|
|
9 46.2200000 0.385402E+00
|
||
|
|
10 20.2300000 0.255934E+00
|
||
|
|
11 7.8590000 0.391237E-01
|
||
|
|
12 3.5470000 -0.368010E-02
|
||
|
|
13 1.5640000 0.208211E-02
|
||
|
|
S 13
|
||
|
|
1 615200.0000000 -0.672205E-05
|
||
|
|
2 92120.0000000 -0.522311E-04
|
||
|
|
3 20950.0000000 -0.275361E-03
|
||
|
|
4 5920.0000000 -0.116307E-02
|
||
|
|
5 1922.0000000 -0.424281E-02
|
||
|
|
6 688.0000000 -0.136114E-01
|
||
|
|
7 265.0000000 -0.385114E-01
|
||
|
|
8 108.2000000 -0.906643E-01
|
||
|
|
9 46.2200000 -0.166584E+00
|
||
|
|
10 20.2300000 -0.161447E+00
|
||
|
|
11 7.8590000 0.146781E+00
|
||
|
|
12 3.5470000 0.566682E+00
|
||
|
|
13 1.5640000 0.416433E+00
|
||
|
|
S 13
|
||
|
|
1 615200.0000000 0.184740E-05
|
||
|
|
2 92120.0000000 0.143380E-04
|
||
|
|
3 20950.0000000 0.757228E-04
|
||
|
|
4 5920.0000000 0.319205E-03
|
||
|
|
5 1922.0000000 0.116851E-02
|
||
|
|
6 688.0000000 0.374267E-02
|
||
|
|
7 265.0000000 0.106817E-01
|
||
|
|
8 108.2000000 0.252657E-01
|
||
|
|
9 46.2200000 0.479283E-01
|
||
|
|
10 20.2300000 0.477096E-01
|
||
|
|
11 7.8590000 -0.466525E-01
|
||
|
|
12 3.5470000 -0.234968E+00
|
||
|
|
13 1.5640000 -0.311337E+00
|
||
|
|
S 1
|
||
|
|
1 0.4888000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2266000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0933100 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.1130000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 6.4340000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 13.2980000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0354000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 1367.0000000 0.421015E-03
|
||
|
|
2 324.0000000 0.360985E-02
|
||
|
|
3 104.6000000 0.189217E-01
|
||
|
|
4 39.3700000 0.705560E-01
|
||
|
|
5 16.2600000 0.188157E+00
|
||
|
|
6 7.0560000 0.338709E+00
|
||
|
|
7 3.1300000 0.381943E+00
|
||
|
|
8 1.3940000 0.195261E+00
|
||
|
|
P 8
|
||
|
|
1 1367.0000000 -0.100827E-03
|
||
|
|
2 324.0000000 -0.854499E-03
|
||
|
|
3 104.6000000 -0.457116E-02
|
||
|
|
4 39.3700000 -0.170327E-01
|
||
|
|
5 16.2600000 -0.475204E-01
|
||
|
|
6 7.0560000 -0.852786E-01
|
||
|
|
7 3.1300000 -0.109676E+00
|
||
|
|
8 1.3940000 -0.161181E-01
|
||
|
|
P 1
|
||
|
|
1 0.5179000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2032000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0769800 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.1120000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 6.6150000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 14.0600000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0272000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1650000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4130000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.0360000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.5900000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 7.1190000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 19.5660000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0594000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2800000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.7030000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.3100000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 10.5180000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1090000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.5970000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.3280000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2500000 1.0000000
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 13
|
||
|
|
1 727800.0000000 0.236025E-04
|
||
|
|
2 109000.0000000 0.183482E-03
|
||
|
|
3 24800.0000000 0.964278E-03
|
||
|
|
4 7014.0000000 0.406537E-02
|
||
|
|
5 2278.0000000 0.146973E-01
|
||
|
|
6 814.7000000 0.465081E-01
|
||
|
|
7 313.4000000 0.125508E+00
|
||
|
|
8 127.7000000 0.268433E+00
|
||
|
|
9 54.4800000 0.384809E+00
|
||
|
|
10 23.8500000 0.265372E+00
|
||
|
|
11 9.4280000 0.437326E-01
|
||
|
|
12 4.2900000 -0.378807E-02
|
||
|
|
13 1.9090000 0.218083E-02
|
||
|
|
S 13
|
||
|
|
1 727800.0000000 -0.652179E-05
|
||
|
|
2 109000.0000000 -0.506631E-04
|
||
|
|
3 24800.0000000 -0.266833E-03
|
||
|
|
4 7014.0000000 -0.112601E-02
|
||
|
|
5 2278.0000000 -0.411186E-02
|
||
|
|
6 814.7000000 -0.132454E-01
|
||
|
|
7 313.4000000 -0.377004E-01
|
||
|
|
8 127.7000000 -0.898554E-01
|
||
|
|
9 54.4800000 -0.167098E+00
|
||
|
|
10 23.8500000 -0.169354E+00
|
||
|
|
11 9.4280000 0.127824E+00
|
||
|
|
12 4.2900000 0.564862E+00
|
||
|
|
13 1.9090000 0.431767E+00
|
||
|
|
S 13
|
||
|
|
1 727800.0000000 0.189406E-05
|
||
|
|
2 109000.0000000 0.146948E-04
|
||
|
|
3 24800.0000000 0.775460E-04
|
||
|
|
4 7014.0000000 0.326509E-03
|
||
|
|
5 2278.0000000 0.119686E-02
|
||
|
|
6 814.7000000 0.384799E-02
|
||
|
|
7 313.4000000 0.110539E-01
|
||
|
|
8 127.7000000 0.264645E-01
|
||
|
|
9 54.4800000 0.508771E-01
|
||
|
|
10 23.8500000 0.530030E-01
|
||
|
|
11 9.4280000 -0.425518E-01
|
||
|
|
12 4.2900000 -0.250853E+00
|
||
|
|
13 1.9090000 -0.333152E+00
|
||
|
|
S 1
|
||
|
|
1 0.6270000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2873000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1172000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 3.8070000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 7.7800000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 15.9010000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0428000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 1546.0000000 0.441183E-03
|
||
|
|
2 366.4000000 0.377571E-02
|
||
|
|
3 118.4000000 0.198360E-01
|
||
|
|
4 44.5300000 0.742063E-01
|
||
|
|
5 18.3800000 0.197327E+00
|
||
|
|
6 7.9650000 0.351851E+00
|
||
|
|
7 3.5410000 0.378687E+00
|
||
|
|
8 1.5910000 0.170931E+00
|
||
|
|
P 8
|
||
|
|
1 1546.0000000 -0.113110E-03
|
||
|
|
2 366.4000000 -0.958581E-03
|
||
|
|
3 118.4000000 -0.513471E-02
|
||
|
|
4 44.5300000 -0.192641E-01
|
||
|
|
5 18.3800000 -0.535980E-01
|
||
|
|
6 7.9650000 -0.960333E-01
|
||
|
|
7 3.5410000 -0.118183E+00
|
||
|
|
8 1.5910000 0.923194E-02
|
||
|
|
P 1
|
||
|
|
1 0.6205000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2420000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0901400 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.5220000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 7.5390000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 16.1390000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0317000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2030000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.5040000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.2500000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.1160000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 8.5240000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 23.3230000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0748000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3350000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8690000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.8010000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 12.7030000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1400000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6830000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.7390000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.2970000 1.0000000
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 13
|
||
|
|
1 834900.0000000 0.231688E-04
|
||
|
|
2 125000.0000000 0.180154E-03
|
||
|
|
3 28430.0000000 0.947782E-03
|
||
|
|
4 8033.0000000 0.400139E-02
|
||
|
|
5 2608.0000000 0.144629E-01
|
||
|
|
6 933.9000000 0.456586E-01
|
||
|
|
7 360.0000000 0.123248E+00
|
||
|
|
8 147.0000000 0.264369E+00
|
||
|
|
9 62.8800000 0.382989E+00
|
||
|
|
10 27.6000000 0.270934E+00
|
||
|
|
11 11.0800000 0.471404E-01
|
||
|
|
12 5.0750000 -0.371766E-02
|
||
|
|
13 2.2780000 0.219158E-02
|
||
|
|
S 13
|
||
|
|
1 834900.0000000 -0.649649E-05
|
||
|
|
2 125000.0000000 -0.504895E-04
|
||
|
|
3 28430.0000000 -0.266113E-03
|
||
|
|
4 8033.0000000 -0.112499E-02
|
||
|
|
5 2608.0000000 -0.410497E-02
|
||
|
|
6 933.9000000 -0.131987E-01
|
||
|
|
7 360.0000000 -0.375342E-01
|
||
|
|
8 147.0000000 -0.897233E-01
|
||
|
|
9 62.8800000 -0.167671E+00
|
||
|
|
10 27.6000000 -0.174763E+00
|
||
|
|
11 11.0800000 0.114909E+00
|
||
|
|
12 5.0750000 0.563618E+00
|
||
|
|
13 2.2780000 0.441606E+00
|
||
|
|
S 13
|
||
|
|
1 834900.0000000 0.196645E-05
|
||
|
|
2 125000.0000000 0.152620E-04
|
||
|
|
3 28430.0000000 0.806086E-04
|
||
|
|
4 8033.0000000 0.339960E-03
|
||
|
|
5 2608.0000000 0.124551E-02
|
||
|
|
6 933.9000000 0.399612E-02
|
||
|
|
7 360.0000000 0.114751E-01
|
||
|
|
8 147.0000000 0.275504E-01
|
||
|
|
9 62.8800000 0.532917E-01
|
||
|
|
10 27.6000000 0.571246E-01
|
||
|
|
11 11.0800000 -0.395201E-01
|
||
|
|
12 5.0750000 -0.264343E+00
|
||
|
|
13 2.2780000 -0.349291E+00
|
||
|
|
S 1
|
||
|
|
1 0.7775000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.3527000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1431000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 4.5700000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 9.2770000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 18.8310000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0519000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 1703.0000000 0.474039E-03
|
||
|
|
2 403.6000000 0.406412E-02
|
||
|
|
3 130.3000000 0.213355E-01
|
||
|
|
4 49.0500000 0.794611E-01
|
||
|
|
5 20.2600000 0.208927E+00
|
||
|
|
6 8.7870000 0.364945E+00
|
||
|
|
7 3.9190000 0.371725E+00
|
||
|
|
8 1.7650000 0.146292E+00
|
||
|
|
P 8
|
||
|
|
1 1703.0000000 -0.128266E-03
|
||
|
|
2 403.6000000 -0.109356E-02
|
||
|
|
3 130.3000000 -0.583429E-02
|
||
|
|
4 49.0500000 -0.219258E-01
|
||
|
|
5 20.2600000 -0.601385E-01
|
||
|
|
6 8.7870000 -0.106929E+00
|
||
|
|
7 3.9190000 -0.122454E+00
|
||
|
|
8 1.7650000 0.383619E-01
|
||
|
|
P 1
|
||
|
|
1 0.7207000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.2839000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1060000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 3.9320000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 8.4920000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 18.3380000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0376000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.2540000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.6280000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.5510000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 3.7990000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 10.3120000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 27.9910000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0952000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.4230000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.0890000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 3.3890000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 15.1880000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2170000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.8270000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 3.2390000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.3780000 1.0000000
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 13
|
||
|
|
1 950600.0000000 0.227545E-04
|
||
|
|
2 142300.0000000 0.176945E-03
|
||
|
|
3 32360.0000000 0.931282E-03
|
||
|
|
4 9145.0000000 0.392860E-02
|
||
|
|
5 2970.0000000 0.142064E-01
|
||
|
|
6 1064.0000000 0.448114E-01
|
||
|
|
7 410.8000000 0.121001E+00
|
||
|
|
8 168.0000000 0.260579E+00
|
||
|
|
9 71.9900000 0.381364E+00
|
||
|
|
10 31.6700000 0.276058E+00
|
||
|
|
11 12.8900000 0.505179E-01
|
||
|
|
12 5.9290000 -0.359866E-02
|
||
|
|
13 2.6780000 0.218798E-02
|
||
|
|
S 13
|
||
|
|
1 950600.0000000 -0.646201E-05
|
||
|
|
2 142300.0000000 -0.502346E-04
|
||
|
|
3 32360.0000000 -0.264804E-03
|
||
|
|
4 9145.0000000 -0.111895E-02
|
||
|
|
5 2970.0000000 -0.408276E-02
|
||
|
|
6 1064.0000000 -0.131216E-01
|
||
|
|
7 410.8000000 -0.372855E-01
|
||
|
|
8 168.0000000 -0.894709E-01
|
||
|
|
9 71.9900000 -0.168054E+00
|
||
|
|
10 31.6700000 -0.179594E+00
|
||
|
|
11 12.8900000 0.102953E+00
|
||
|
|
12 5.9290000 0.562630E+00
|
||
|
|
13 2.6780000 0.450355E+00
|
||
|
|
S 13
|
||
|
|
1 950600.0000000 0.202056E-05
|
||
|
|
2 142300.0000000 0.156851E-04
|
||
|
|
3 32360.0000000 0.828617E-04
|
||
|
|
4 9145.0000000 0.349264E-03
|
||
|
|
5 2970.0000000 0.127976E-02
|
||
|
|
6 1064.0000000 0.410365E-02
|
||
|
|
7 410.8000000 0.117789E-01
|
||
|
|
8 168.0000000 0.283868E-01
|
||
|
|
9 71.9900000 0.552406E-01
|
||
|
|
10 31.6700000 0.607492E-01
|
||
|
|
11 12.8900000 -0.362012E-01
|
||
|
|
12 5.9290000 -0.275398E+00
|
||
|
|
13 2.6780000 -0.362845E+00
|
||
|
|
S 1
|
||
|
|
1 0.9416000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.4239000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1714000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 5.3860000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 10.8670000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 21.9260000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0610000 1.0000000
|
||
|
|
P 8
|
||
|
|
1 1890.0000000 0.495752E-03
|
||
|
|
2 447.8000000 0.425172E-02
|
||
|
|
3 144.6000000 0.223277E-01
|
||
|
|
4 54.4600000 0.830878E-01
|
||
|
|
5 22.5100000 0.217110E+00
|
||
|
|
6 9.7740000 0.374507E+00
|
||
|
|
7 4.3680000 0.366445E+00
|
||
|
|
8 1.9590000 0.129245E+00
|
||
|
|
P 8
|
||
|
|
1 1890.0000000 -0.138863E-03
|
||
|
|
2 447.8000000 -0.118870E-02
|
||
|
|
3 144.6000000 -0.632553E-02
|
||
|
|
4 54.4600000 -0.238813E-01
|
||
|
|
5 22.5100000 -0.649238E-01
|
||
|
|
6 9.7740000 -0.115444E+00
|
||
|
|
7 4.3680000 -0.123651E+00
|
||
|
|
8 1.9590000 0.649055E-01
|
||
|
|
P 1
|
||
|
|
1 0.8260000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.3297000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1242000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 4.4110000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 9.5560000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 20.7020000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0435000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.3110000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.7630000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 1.8730000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.5300000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 12.2150000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 32.9330000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1160000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.5430000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 1.3250000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 4.0300000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 17.8740000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.2940000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 1.0070000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 3.8160000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.4590000 1.0000000
|
||
|
|
|
||
|
|
BROMINE
|
||
|
|
S 18
|
||
|
|
1 16475000.0000000 0.0000034
|
||
|
|
2 2466600.0000000 0.0000267
|
||
|
|
3 561310.0000000 0.0001404
|
||
|
|
4 158990.0000000 0.0005927
|
||
|
|
5 51869.0000000 0.0021561
|
||
|
|
6 18726.0000000 0.0069959
|
||
|
|
7 7303.6000000 0.0205645
|
||
|
|
8 3029.1000000 0.0545893
|
||
|
|
9 1320.8000000 0.1275226
|
||
|
|
10 600.0300000 0.2459780
|
||
|
|
11 281.9000000 0.3436508
|
||
|
|
12 135.5400000 0.2702530
|
||
|
|
13 64.8700000 0.0744795
|
||
|
|
14 32.1290000 0.0008787
|
||
|
|
15 16.0370000 0.0015755
|
||
|
|
16 7.7849000 -0.0007602
|
||
|
|
17 3.7247000 0.0003211
|
||
|
|
18 1.7583000 -0.0001586
|
||
|
|
S 18
|
||
|
|
1 16475000.0000000 -0.0000011
|
||
|
|
2 2466600.0000000 -0.0000084
|
||
|
|
3 561310.0000000 -0.0000441
|
||
|
|
4 158990.0000000 -0.0001862
|
||
|
|
5 51869.0000000 -0.0006783
|
||
|
|
6 18726.0000000 -0.0022122
|
||
|
|
7 7303.6000000 -0.0065752
|
||
|
|
8 3029.1000000 -0.0179328
|
||
|
|
9 1320.8000000 -0.0443321
|
||
|
|
10 600.0300000 -0.0963478
|
||
|
|
11 281.9000000 -0.1696814
|
||
|
|
12 135.5400000 -0.1920769
|
||
|
|
13 64.8700000 0.0208731
|
||
|
|
14 32.1290000 0.4744996
|
||
|
|
15 16.0370000 0.5214907
|
||
|
|
16 7.7849000 0.1348001
|
||
|
|
17 3.7247000 0.0036614
|
||
|
|
18 1.7583000 0.0018840
|
||
|
|
S 18
|
||
|
|
1 16475000.0000000 0.0000004
|
||
|
|
2 2466600.0000000 0.0000033
|
||
|
|
3 561310.0000000 0.0000175
|
||
|
|
4 158990.0000000 0.0000740
|
||
|
|
5 51869.0000000 0.0002697
|
||
|
|
6 18726.0000000 0.0008799
|
||
|
|
7 7303.6000000 0.0026198
|
||
|
|
8 3029.1000000 0.0071671
|
||
|
|
9 1320.8000000 0.0178561
|
||
|
|
10 600.0300000 0.0393960
|
||
|
|
11 281.9000000 0.0717102
|
||
|
|
12 135.5400000 0.0858877
|
||
|
|
13 64.8700000 -0.0103861
|
||
|
|
14 32.1290000 -0.3040135
|
||
|
|
15 16.0370000 -0.4933178
|
||
|
|
16 7.7849000 0.0160890
|
||
|
|
17 3.7247000 0.7146686
|
||
|
|
18 1.7583000 0.4904795
|
||
|
|
S 18
|
||
|
|
1 16475000.0000000 -0.0000001
|
||
|
|
2 2466600.0000000 -0.0000010
|
||
|
|
3 561310.0000000 -0.0000054
|
||
|
|
4 158990.0000000 -0.0000227
|
||
|
|
5 51869.0000000 -0.0000827
|
||
|
|
6 18726.0000000 -0.0002694
|
||
|
|
7 7303.6000000 -0.0008042
|
||
|
|
8 3029.1000000 -0.0021949
|
||
|
|
9 1320.8000000 -0.0054939
|
||
|
|
10 600.0300000 -0.0120960
|
||
|
|
11 281.9000000 -0.0222623
|
||
|
|
12 135.5400000 -0.0266063
|
||
|
|
13 64.8700000 0.0027580
|
||
|
|
14 32.1290000 0.1016803
|
||
|
|
15 16.0370000 0.1704132
|
||
|
|
16 7.7849000 -0.0062220
|
||
|
|
17 3.7247000 -0.3452570
|
||
|
|
18 1.7583000 -0.4234840
|
||
|
|
S 1
|
||
|
|
1 0.5833100 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.2785600 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.1182900 1.0000000
|
||
|
|
S 1
|
||
|
|
1 6.6640000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 13.5630000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 27.6050000 1.0000000
|
||
|
|
S 1
|
||
|
|
1 0.0442700 1.0000000
|
||
|
|
P 13
|
||
|
|
1 26607.0000000 0.0000619
|
||
|
|
2 6298.2000000 0.0005499
|
||
|
|
3 2045.2000000 0.0031620
|
||
|
|
4 782.1600000 0.0137979
|
||
|
|
5 331.6300000 0.0479812
|
||
|
|
6 151.1100000 0.1315710
|
||
|
|
7 72.3920000 0.2685861
|
||
|
|
8 35.8620000 0.3683473
|
||
|
|
9 18.1340000 0.2711363
|
||
|
|
10 9.0430000 0.0762222
|
||
|
|
11 4.4500000 0.0046749
|
||
|
|
12 2.1661000 0.0012565
|
||
|
|
13 0.9962800 -0.0002357
|
||
|
|
P 13
|
||
|
|
1 26607.0000000 -0.0000248
|
||
|
|
2 6298.2000000 -0.0002212
|
||
|
|
3 2045.2000000 -0.0012736
|
||
|
|
4 782.1600000 -0.0056179
|
||
|
|
5 331.6300000 -0.0198600
|
||
|
|
6 151.1100000 -0.0565531
|
||
|
|
7 72.3920000 -0.1209479
|
||
|
|
8 35.8620000 -0.1773098
|
||
|
|
9 18.1340000 -0.0921472
|
||
|
|
10 9.0430000 0.2187683
|
||
|
|
11 4.4500000 0.4854670
|
||
|
|
12 2.1661000 0.3721970
|
||
|
|
13 0.9962800 0.0776907
|
||
|
|
P 13
|
||
|
|
1 26607.0000000 0.0000064
|
||
|
|
2 6298.2000000 0.0000572
|
||
|
|
3 2045.2000000 0.0003297
|
||
|
|
4 782.1600000 0.0014562
|
||
|
|
5 331.6300000 0.0051591
|
||
|
|
6 151.1100000 0.0147617
|
||
|
|
7 72.3920000 0.0317694
|
||
|
|
8 35.8620000 0.0470680
|
||
|
|
9 18.1340000 0.0223871
|
||
|
|
10 9.0430000 -0.0720254
|
||
|
|
11 4.4500000 -0.1626429
|
||
|
|
12 2.1661000 -0.1496503
|
||
|
|
13 0.9962800 0.1064517
|
||
|
|
P 1
|
||
|
|
1 0.4544300 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.1940400 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0789970 1.0000000
|
||
|
|
P 1
|
||
|
|
1 5.1200000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 11.0680000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 23.9280000 1.0000000
|
||
|
|
P 1
|
||
|
|
1 0.0305130 1.0000000
|
||
|
|
D 9
|
||
|
|
1 1289.6000000 0.0001190
|
||
|
|
2 389.7500000 0.0011551
|
||
|
|
3 151.7600000 0.0067648
|
||
|
|
4 67.2230000 0.0273017
|
||
|
|
5 31.9130000 0.0809298
|
||
|
|
6 15.8570000 0.1794011
|
||
|
|
7 8.0545000 0.2840086
|
||
|
|
8 4.0887000 0.3266797
|
||
|
|
9 2.0556000 0.2584900
|
||
|
|
D 1
|
||
|
|
1 0.9950900 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.4231300 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.1779000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 2.2930000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 4.8040000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 10.0650000 1.0000000
|
||
|
|
D 1
|
||
|
|
1 0.0829000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.3407000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.8257000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 2.1130000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 5.2890000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 13.2410000 1.0000000
|
||
|
|
F 1
|
||
|
|
1 0.1748000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.6491000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 2.3320000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 9.2410000 1.0000000
|
||
|
|
G 1
|
||
|
|
1 0.3110000 1.0000000
|
||
|
|
H 1
|
||
|
|
1 2.5630000 1.0000000
|
||
|
|
|
||
|
|
|