mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-27 13:53:29 +01:00
284 lines
9.2 KiB
Plaintext
284 lines
9.2 KiB
Plaintext
SODIUM
|
|
S 6
|
|
1 36166.4000000 0.0010320
|
|
2 5372.5800000 0.0080710
|
|
3 1213.2100000 0.0421290
|
|
4 339.6230000 0.1697890
|
|
5 109.5530000 0.5146210
|
|
6 38.7773000 0.3798170
|
|
S 3
|
|
1 38.7773000 0.3747620
|
|
2 14.5759000 0.5757690
|
|
3 5.2699300 0.1129330
|
|
S 1
|
|
1 1.8277700 1.0000000
|
|
S 1
|
|
1 0.6199480 1.0000000
|
|
S 1
|
|
1 0.0572400 1.0000000
|
|
S 1
|
|
1 0.0240480 1.0000000
|
|
P 4
|
|
1 144.6450000 0.0114850
|
|
2 33.9074000 0.0823830
|
|
3 10.6285000 0.3196580
|
|
4 3.8238900 0.7012950
|
|
P 2
|
|
1 1.4442900 0.6385060
|
|
2 0.5526210 0.4253650
|
|
P 1
|
|
1 0.1887200 1.0000000
|
|
P 1
|
|
1 0.0465010 1.0000000
|
|
P 1
|
|
1 0.0162850 1.0000000
|
|
|
|
MAGNESIUM
|
|
S 6
|
|
1 43866.5000000 0.0009180
|
|
2 6605.3700000 0.0070470
|
|
3 1513.2600000 0.0359410
|
|
4 432.3170000 0.1414610
|
|
5 142.1490000 0.4267640
|
|
6 51.3983000 0.4979750
|
|
S 3
|
|
1 51.3983000 0.2513550
|
|
2 19.9196000 0.6186710
|
|
3 8.0247400 0.1884170
|
|
S 1
|
|
1 2.5081700 1.0000000
|
|
S 1
|
|
1 0.8715310 1.0000000
|
|
S 1
|
|
1 0.1081880 1.0000000
|
|
S 1
|
|
1 0.0401300 1.0000000
|
|
P 4
|
|
1 193.8540000 0.0101880
|
|
2 45.4420000 0.0753600
|
|
3 14.1864000 0.3074190
|
|
4 5.0575100 0.7175750
|
|
P 2
|
|
1 1.8886100 0.6673390
|
|
2 0.7226520 0.3946490
|
|
P 1
|
|
1 0.2364170 1.0000000
|
|
P 1
|
|
1 0.0933580 1.0000000
|
|
P 1
|
|
1 0.0348090 1.0000000
|
|
|
|
ALUMINUM
|
|
S 6
|
|
1 54866.4890000 0.0008390
|
|
2 8211.7665000 0.0065270
|
|
3 1866.1761000 0.0336660
|
|
4 531.1293400 0.1329020
|
|
5 175.1179700 0.4012660
|
|
6 64.0055000 0.5313380
|
|
S 3
|
|
1 64.0055000 0.2023050
|
|
2 25.2925070 0.6247900
|
|
3 10.5349100 0.2274390
|
|
S 1
|
|
1 3.2067110 1.0000000
|
|
S 1
|
|
1 1.1525550 1.0000000
|
|
S 1
|
|
1 0.1766780 1.0000000
|
|
S 1
|
|
1 0.0652370 1.0000000
|
|
P 4
|
|
1 259.2836200 0.0094480
|
|
2 61.0768700 0.0709740
|
|
3 19.3032370 0.2956360
|
|
4 7.0108820 0.7282190
|
|
P 2
|
|
1 2.6738650 0.6444670
|
|
2 1.0365960 0.4174130
|
|
P 1
|
|
1 0.3168190 1.0000000
|
|
P 1
|
|
1 0.1142570 1.0000000
|
|
P 1
|
|
1 0.0413970 1.0000000
|
|
|
|
SILICON
|
|
S 6
|
|
1 69379.2300000 0.0007570
|
|
2 10354.9400000 0.0059320
|
|
3 2333.8796000 0.0310880
|
|
4 657.1429500 0.1249670
|
|
5 214.3011300 0.3868970
|
|
6 77.6291680 0.5548880
|
|
S 3
|
|
1 77.6291680 0.1778810
|
|
2 30.6308070 0.6277650
|
|
3 12.8012950 0.2476230
|
|
S 1
|
|
1 3.9268660 1.0000000
|
|
S 1
|
|
1 1.4523430 1.0000000
|
|
S 1
|
|
1 0.2562340 1.0000000
|
|
S 1
|
|
1 0.0942790 1.0000000
|
|
P 4
|
|
1 335.4831900 0.0088660
|
|
2 78.9003660 0.0682990
|
|
3 24.9881500 0.2909580
|
|
4 9.2197110 0.7321170
|
|
P 2
|
|
1 3.6211400 0.6198790
|
|
2 1.4513100 0.4391480
|
|
P 1
|
|
1 0.5049770 1.0000000
|
|
P 1
|
|
1 0.1863170 1.0000000
|
|
P 1
|
|
1 0.0654320 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 6
|
|
1 77492.4000000 0.0007810
|
|
2 11605.8000000 0.0060680
|
|
3 2645.9600000 0.0311600
|
|
4 754.9800000 0.1234310
|
|
5 248.7550000 0.3782090
|
|
6 91.1565000 0.5632620
|
|
S 3
|
|
1 91.1565000 0.1602550
|
|
2 36.2257000 0.6276470
|
|
3 15.2113000 0.2638490
|
|
S 1
|
|
1 4.7941700 1.0000000
|
|
S 1
|
|
1 1.8079300 1.0000000
|
|
S 1
|
|
1 0.3568160 1.0000000
|
|
S 1
|
|
1 0.1147830 1.0000000
|
|
P 4
|
|
1 384.8430000 0.0092060
|
|
2 90.5521000 0.0698740
|
|
3 29.1339000 0.2924700
|
|
4 10.8862000 0.7281030
|
|
P 2
|
|
1 4.3525900 0.6283490
|
|
2 1.7770600 0.4280440
|
|
P 1
|
|
1 0.6970050 1.0000000
|
|
P 1
|
|
1 0.2535320 1.0000000
|
|
P 1
|
|
1 0.0684930 1.0000000
|
|
|
|
SULFUR
|
|
S 6
|
|
1 93413.4000000 0.0007430
|
|
2 13961.7000000 0.0057930
|
|
3 3169.9100000 0.0299540
|
|
4 902.4560000 0.1190280
|
|
5 297.1580000 0.3684320
|
|
6 108.7020000 0.5772990
|
|
S 3
|
|
1 108.7020000 0.1431860
|
|
2 43.1553000 0.6244650
|
|
3 18.1079000 0.2833660
|
|
S 1
|
|
1 5.5600900 1.0000000
|
|
S 1
|
|
1 2.1318300 1.0000000
|
|
S 1
|
|
1 0.4204030 1.0000000
|
|
S 1
|
|
1 0.1360450 1.0000000
|
|
P 4
|
|
1 495.0400000 0.0083090
|
|
2 117.2210000 0.0640240
|
|
3 37.7749000 0.2776140
|
|
4 14.0584000 0.7450760
|
|
P 2
|
|
1 5.5657400 0.6137120
|
|
2 2.2629700 0.4438180
|
|
P 1
|
|
1 0.8079940 1.0000000
|
|
P 1
|
|
1 0.2774600 1.0000000
|
|
P 1
|
|
1 0.0771410 1.0000000
|
|
|
|
CHLORINE
|
|
S 6
|
|
1 105819.0000000 0.0007380
|
|
2 15872.0000000 0.0057180
|
|
3 3619.6500000 0.0294950
|
|
4 1030.8000000 0.1172860
|
|
5 339.9080000 0.3629490
|
|
6 124.5380000 0.5841490
|
|
S 3
|
|
1 124.5380000 0.1341770
|
|
2 49.5135000 0.6242500
|
|
3 20.8056000 0.2917560
|
|
S 1
|
|
1 6.5834600 1.0000000
|
|
S 1
|
|
1 2.5646800 1.0000000
|
|
S 1
|
|
1 0.5597630 1.0000000
|
|
S 1
|
|
1 0.1832730 1.0000000
|
|
P 5
|
|
1 589.7760000 0.0023910
|
|
2 139.8490000 0.0185040
|
|
3 45.1413000 0.0813770
|
|
4 16.8733000 0.2215520
|
|
5 6.7411000 0.7725690
|
|
P 2
|
|
1 6.7411000 -1.5722440
|
|
2 2.7715200 0.9923890
|
|
P 1
|
|
1 1.0238700 1.0000000
|
|
P 1
|
|
1 0.3813680 1.0000000
|
|
P 1
|
|
1 0.1094370 1.0000000
|
|
|
|
ARGON
|
|
S 6
|
|
1 118022.3800000 0.0007470
|
|
2 17683.5410000 0.0057900
|
|
3 4027.7657000 0.0299190
|
|
4 1145.3977000 0.1192060
|
|
5 377.1637500 0.3690280
|
|
6 138.1596900 0.5764590
|
|
S 3
|
|
1 138.1596900 0.1439270
|
|
2 54.9891170 0.6229380
|
|
3 23.1706670 0.2839640
|
|
S 1
|
|
1 7.3778600 1.0000000
|
|
S 1
|
|
1 2.9236880 1.0000000
|
|
S 1
|
|
1 0.6504050 1.0000000
|
|
S 1
|
|
1 0.2328250 1.0000000
|
|
P 5
|
|
1 663.0620100 0.0030820
|
|
2 157.0928100 0.0241650
|
|
3 50.2311000 0.1082230
|
|
4 18.6353450 0.2941920
|
|
5 7.4465370 0.6878620
|
|
P 2
|
|
1 7.4465370 -0.1214482
|
|
2 3.0956980 0.1632370
|
|
P 1
|
|
1 1.1064630 1.0000000
|
|
P 1
|
|
1 0.4156010 1.0000000
|
|
P 1
|
|
1 0.1454490 1.0000000
|
|
|
|
|