mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-09 06:53:38 +01:00
564 lines
18 KiB
Plaintext
564 lines
18 KiB
Plaintext
GALLIUM
|
|
S 11
|
|
1 183.6812990 0.0000460
|
|
2 101.6371440 -0.0002650
|
|
3 56.2393070 0.0009720
|
|
4 31.1191320 -0.0033350
|
|
5 17.2192800 0.0135370
|
|
6 9.5280160 -0.0602290
|
|
7 5.2721770 0.1745210
|
|
8 2.9172760 -0.1409590
|
|
9 1.6142290 -0.1325860
|
|
10 0.8932080 -0.1725520
|
|
11 0.2128450 0.4708480
|
|
S 1
|
|
1 0.4934650 1.0000000
|
|
S 1
|
|
1 0.0442640 1.0000000
|
|
S 1
|
|
1 0.0976160 1.0000000
|
|
S 1
|
|
1 0.0142880 1.0000000
|
|
P 7
|
|
1 16.3427320 0.0006170
|
|
2 9.0348110 -0.0063630
|
|
3 4.9947470 0.0317160
|
|
4 2.7612640 -0.0473460
|
|
5 1.5265190 -0.0485180
|
|
6 0.8439110 -0.0000290
|
|
7 0.1428090 0.3992510
|
|
P 1
|
|
1 0.3257830 1.0000000
|
|
P 1
|
|
1 0.0274030 1.0000000
|
|
P 1
|
|
1 0.0628660 1.0000000
|
|
P 1
|
|
1 0.0086370 1.0000000
|
|
D 1
|
|
1 0.4333420 1.0000000
|
|
D 1
|
|
1 0.1885190 1.0000000
|
|
D 1
|
|
1 0.0820120 1.0000000
|
|
D 1
|
|
1 0.0290170 1.0000000
|
|
F 1
|
|
1 0.4912310 1.0000000
|
|
F 1
|
|
1 0.1774170 1.0000000
|
|
F 1
|
|
1 0.0633370 1.0000000
|
|
G 1
|
|
1 0.3969130 1.0000000
|
|
G 1
|
|
1 0.1689980 1.0000000
|
|
|
|
GERMANIUM
|
|
S 11
|
|
1 592.2227540 -0.0000190
|
|
2 299.5004840 0.0001000
|
|
3 151.4641900 -0.0003130
|
|
4 76.5988780 0.0008530
|
|
5 38.7377900 -0.0024180
|
|
6 19.5905800 0.0087550
|
|
7 9.9074010 -0.0432530
|
|
8 5.0103970 0.1713900
|
|
9 2.5338720 -0.2158420
|
|
10 1.2814360 -0.2356390
|
|
11 0.3085610 0.4601100
|
|
S 1
|
|
1 0.5804130 1.0000000
|
|
S 1
|
|
1 0.0612490 1.0000000
|
|
S 1
|
|
1 0.1385560 1.0000000
|
|
S 1
|
|
1 0.0220260 1.0000000
|
|
P 7
|
|
1 39.8392630 -0.0000910
|
|
2 19.8113590 0.0007200
|
|
3 9.8518380 -0.0055920
|
|
4 4.8991440 0.0369160
|
|
5 2.4362580 -0.0945060
|
|
6 1.2115080 -0.0406190
|
|
7 0.2001130 0.4233010
|
|
P 1
|
|
1 0.4381410 1.0000000
|
|
P 1
|
|
1 0.0394470 1.0000000
|
|
P 1
|
|
1 0.0899340 1.0000000
|
|
P 1
|
|
1 0.0142970 1.0000000
|
|
D 1
|
|
1 0.5165310 1.0000000
|
|
D 1
|
|
1 0.2347290 1.0000000
|
|
D 1
|
|
1 0.1066690 1.0000000
|
|
D 1
|
|
1 0.0435390 1.0000000
|
|
F 1
|
|
1 0.5726360 1.0000000
|
|
F 1
|
|
1 0.2202010 1.0000000
|
|
F 1
|
|
1 0.0878230 1.0000000
|
|
G 1
|
|
1 0.4633960 1.0000000
|
|
G 1
|
|
1 0.2181000 1.0000000
|
|
|
|
ARSENIC
|
|
S 11
|
|
1 496.0746690 0.0000290
|
|
2 251.7883940 -0.0000020
|
|
3 127.7980900 0.0000320
|
|
4 64.8653880 0.0002310
|
|
5 32.9231720 -0.0004030
|
|
6 16.7105340 0.0027270
|
|
7 8.4816230 -0.0190750
|
|
8 4.3049450 0.1361090
|
|
9 2.1850240 -0.2911950
|
|
10 1.1090340 -0.2076360
|
|
11 0.1284130 0.4033810
|
|
S 1
|
|
1 0.2578990 1.0000000
|
|
S 1
|
|
1 0.0624670 1.0000000
|
|
S 1
|
|
1 0.5075100 1.0000000
|
|
S 1
|
|
1 0.0304900 1.0000000
|
|
P 7
|
|
1 41.4842770 -0.0000540
|
|
2 20.4337600 0.0004690
|
|
3 10.0649830 -0.0040960
|
|
4 4.9576720 0.0352440
|
|
5 2.4419830 -0.1155690
|
|
6 1.2028380 -0.0371340
|
|
7 0.1131620 0.3909370
|
|
P 1
|
|
1 0.2455840 1.0000000
|
|
P 1
|
|
1 0.0505590 1.0000000
|
|
P 1
|
|
1 0.5249080 1.0000000
|
|
P 1
|
|
1 0.0183930 1.0000000
|
|
D 1
|
|
1 1.3218810 1.0000000
|
|
D 1
|
|
1 0.4872570 1.0000000
|
|
D 1
|
|
1 0.1796070 1.0000000
|
|
D 1
|
|
1 0.0658230 1.0000000
|
|
F 1
|
|
1 0.6876290 1.0000000
|
|
F 1
|
|
1 0.2723920 1.0000000
|
|
F 1
|
|
1 0.1091440 1.0000000
|
|
G 1
|
|
1 0.5534560 1.0000000
|
|
G 1
|
|
1 0.2340840 1.0000000
|
|
|
|
SELENIUM
|
|
S 11
|
|
1 522.2066270 0.0000120
|
|
2 268.1260450 0.0000290
|
|
3 137.6688310 -0.0000860
|
|
4 70.6858120 0.0004230
|
|
5 36.2935020 -0.0011160
|
|
6 18.6348330 0.0049530
|
|
7 9.5680210 -0.0318050
|
|
8 4.9126830 0.1821030
|
|
9 2.5224080 -0.3325320
|
|
10 1.2951260 -0.2403320
|
|
11 0.0751520 0.0818210
|
|
S 1
|
|
1 0.3134160 1.0000000
|
|
S 1
|
|
1 0.6044890 1.0000000
|
|
S 1
|
|
1 0.1564510 1.0000000
|
|
S 1
|
|
1 0.0570320 1.0000000
|
|
P 7
|
|
1 38.7220300 0.0001650
|
|
2 18.8022560 0.0001260
|
|
3 9.1298120 -0.0001570
|
|
4 4.4331630 0.0173710
|
|
5 2.1526110 -0.1135640
|
|
6 1.0452430 0.0166320
|
|
7 0.0539470 0.0868900
|
|
P 1
|
|
1 0.2546820 1.0000000
|
|
P 1
|
|
1 0.5326430 1.0000000
|
|
P 1
|
|
1 0.1191950 1.0000000
|
|
P 1
|
|
1 0.0380630 1.0000000
|
|
D 1
|
|
1 1.5318250 1.0000000
|
|
D 1
|
|
1 0.5677030 1.0000000
|
|
D 1
|
|
1 0.2103940 1.0000000
|
|
D 1
|
|
1 0.0792440 1.0000000
|
|
F 1
|
|
1 0.7744320 1.0000000
|
|
F 1
|
|
1 0.2975330 1.0000000
|
|
F 1
|
|
1 0.1277090 1.0000000
|
|
G 1
|
|
1 0.5828320 1.0000000
|
|
G 1
|
|
1 0.2694910 1.0000000
|
|
|
|
BROMINE
|
|
S 11
|
|
1 762.0066790 0.0000520
|
|
2 376.6365900 -0.0000230
|
|
3 186.1599440 0.0001490
|
|
4 92.0131660 0.0001420
|
|
5 45.4792930 0.0001820
|
|
6 22.4790230 0.0014490
|
|
7 11.1106930 -0.0118330
|
|
8 5.4916760 0.1119000
|
|
9 2.7143670 -0.2561560
|
|
10 1.3416290 -0.4007910
|
|
11 0.0901270 0.0897840
|
|
S 1
|
|
1 0.3988620 1.0000000
|
|
S 1
|
|
1 0.9528400 1.0000000
|
|
S 1
|
|
1 0.1919290 1.0000000
|
|
S 1
|
|
1 0.0708980 1.0000000
|
|
P 7
|
|
1 77.0646890 0.0000120
|
|
2 33.1900760 0.0001780
|
|
3 14.2942400 -0.0008620
|
|
4 6.1562170 0.0165350
|
|
5 2.6513480 -0.1173210
|
|
6 1.1418780 -0.0129850
|
|
7 0.0641740 0.0906150
|
|
P 1
|
|
1 0.3131070 1.0000000
|
|
P 1
|
|
1 0.1442090 1.0000000
|
|
P 1
|
|
1 0.6656170 1.0000000
|
|
P 1
|
|
1 0.0469860 1.0000000
|
|
D 1
|
|
1 0.6420240 1.0000000
|
|
D 1
|
|
1 0.3557380 1.0000000
|
|
D 1
|
|
1 0.1971100 1.0000000
|
|
D 1
|
|
1 0.1230070 1.0000000
|
|
F 1
|
|
1 0.9173490 1.0000000
|
|
F 1
|
|
1 0.3599340 1.0000000
|
|
F 1
|
|
1 0.1821610 1.0000000
|
|
G 1
|
|
1 0.6655780 1.0000000
|
|
G 1
|
|
1 0.3196180 1.0000000
|
|
|
|
INDIUM
|
|
S 11
|
|
1 260.4103720 0.0000290
|
|
2 140.3828170 -0.0000600
|
|
3 75.6779970 0.0001780
|
|
4 40.7967250 -0.0002890
|
|
5 21.9928230 0.0008310
|
|
6 11.8559580 -0.0019540
|
|
7 6.3913460 0.0082930
|
|
8 3.4454660 -0.0518320
|
|
9 1.8573920 0.2843780
|
|
10 1.0012890 -0.5640840
|
|
11 0.2006590 0.4696610
|
|
S 1
|
|
1 0.5397780 1.0000000
|
|
S 1
|
|
1 0.0408800 1.0000000
|
|
S 1
|
|
1 0.0910510 1.0000000
|
|
S 1
|
|
1 0.0143600 1.0000000
|
|
P 7
|
|
1 48.6768460 0.0000410
|
|
2 22.0983850 -0.0002010
|
|
3 10.0322570 0.0008460
|
|
4 4.5544590 -0.0048970
|
|
5 2.0676400 0.0400620
|
|
6 0.9386700 -0.1697800
|
|
7 0.1658410 0.3708640
|
|
P 1
|
|
1 0.4261390 1.0000000
|
|
P 1
|
|
1 0.0281940 1.0000000
|
|
P 1
|
|
1 0.0683640 1.0000000
|
|
P 1
|
|
1 0.0091890 1.0000000
|
|
D 1
|
|
1 0.6271790 1.0000000
|
|
D 1
|
|
1 0.2358160 1.0000000
|
|
D 1
|
|
1 0.0886660 1.0000000
|
|
D 1
|
|
1 0.0296980 1.0000000
|
|
F 1
|
|
1 0.3952170 1.0000000
|
|
F 1
|
|
1 0.1467980 1.0000000
|
|
F 1
|
|
1 0.0552910 1.0000000
|
|
G 1
|
|
1 0.3239900 1.0000000
|
|
G 1
|
|
1 0.1443600 1.0000000
|
|
|
|
TIN
|
|
S 11
|
|
1 38.4899420 0.0001220
|
|
2 24.2856410 -0.0006380
|
|
3 15.3232850 0.0025740
|
|
4 9.6683900 -0.0108040
|
|
5 6.1003740 0.0552060
|
|
6 3.8490960 -0.2612420
|
|
7 2.4286290 0.7008960
|
|
8 1.5323690 -0.6044690
|
|
9 0.9668650 -0.2359100
|
|
10 0.6100540 -0.1507990
|
|
11 0.1866400 0.5652490
|
|
S 1
|
|
1 0.3849200 1.0000000
|
|
S 1
|
|
1 0.0444900 1.0000000
|
|
S 1
|
|
1 0.0920920 1.0000000
|
|
S 1
|
|
1 0.0124370 1.0000000
|
|
P 7
|
|
1 60.2212000 0.0000420
|
|
2 27.5393180 -0.0002100
|
|
3 12.5938050 0.0009210
|
|
4 5.7591810 -0.0056980
|
|
5 2.6336890 0.0451000
|
|
6 1.2043930 -0.1728060
|
|
7 0.2244350 0.3889450
|
|
P 1
|
|
1 0.5507720 1.0000000
|
|
P 1
|
|
1 0.0396340 1.0000000
|
|
P 1
|
|
1 0.0951810 1.0000000
|
|
P 1
|
|
1 0.0146980 1.0000000
|
|
D 1
|
|
1 0.2938450 1.0000000
|
|
D 1
|
|
1 0.1610550 1.0000000
|
|
D 1
|
|
1 0.0882730 1.0000000
|
|
D 1
|
|
1 0.0444880 1.0000000
|
|
F 1
|
|
1 0.4556300 1.0000000
|
|
F 1
|
|
1 0.1767360 1.0000000
|
|
F 1
|
|
1 0.0738380 1.0000000
|
|
G 1
|
|
1 0.3591600 1.0000000
|
|
G 1
|
|
1 0.1751010 1.0000000
|
|
|
|
ANTIMONY
|
|
S 11
|
|
1 134.4073070 -0.0000050
|
|
2 78.1665010 0.0001560
|
|
3 45.4588520 -0.0006210
|
|
4 26.4372480 0.0020130
|
|
5 15.3749620 -0.0061710
|
|
6 8.9415300 0.0238200
|
|
7 5.2000750 -0.1121760
|
|
8 3.0241780 0.3682080
|
|
9 1.7587540 -0.3713390
|
|
10 1.0228290 -0.3157270
|
|
11 0.5948410 0.0000160
|
|
S 1
|
|
1 0.0598450 1.0000000
|
|
S 1
|
|
1 0.2706150 1.0000000
|
|
S 1
|
|
1 0.1285220 1.0000000
|
|
S 1
|
|
1 0.0244390 1.0000000
|
|
P 7
|
|
1 53.7217630 0.0000530
|
|
2 25.4683320 -0.0002790
|
|
3 12.0739880 0.0012910
|
|
4 5.7240180 -0.0084230
|
|
5 2.7136340 0.0629900
|
|
6 1.2864750 -0.2177580
|
|
7 0.2681730 0.4242890
|
|
P 1
|
|
1 0.6098900 1.0000000
|
|
P 1
|
|
1 0.0500490 1.0000000
|
|
P 1
|
|
1 0.1174810 1.0000000
|
|
P 1
|
|
1 0.0182360 1.0000000
|
|
D 1
|
|
1 0.8023570 1.0000000
|
|
D 1
|
|
1 0.3301090 1.0000000
|
|
D 1
|
|
1 0.1358150 1.0000000
|
|
D 1
|
|
1 0.0512360 1.0000000
|
|
F 1
|
|
1 0.5423170 1.0000000
|
|
F 1
|
|
1 0.2149260 1.0000000
|
|
F 1
|
|
1 0.0890460 1.0000000
|
|
G 1
|
|
1 0.4148900 1.0000000
|
|
G 1
|
|
1 0.1854140 1.0000000
|
|
|
|
TELLURIUM
|
|
S 12
|
|
1 356.2703560 0.0000780
|
|
2 200.2259260 -0.0001580
|
|
3 112.5280860 0.0004070
|
|
4 63.2414120 -0.0005760
|
|
5 35.5420260 0.0013890
|
|
6 19.9748170 -0.0026460
|
|
7 11.2259580 0.0089500
|
|
8 6.3090510 -0.0437500
|
|
9 3.5457220 0.1842070
|
|
10 1.9927150 -0.1940200
|
|
11 1.1199170 -0.3627430
|
|
12 0.0680180 0.1275080
|
|
S 1
|
|
1 0.3022750 1.0000000
|
|
S 1
|
|
1 0.6333530 1.0000000
|
|
S 1
|
|
1 0.1455260 1.0000000
|
|
S 1
|
|
1 0.0497320 1.0000000
|
|
P 8
|
|
1 30.8220740 0.0001610
|
|
2 17.3592880 -0.0011280
|
|
3 9.7769170 0.0062950
|
|
4 5.5064540 -0.0359990
|
|
5 3.1012880 0.1493110
|
|
6 1.7466750 -0.2489380
|
|
7 0.9837440 -0.0648310
|
|
8 0.0443650 0.0829350
|
|
P 1
|
|
1 0.1981350 1.0000000
|
|
P 1
|
|
1 0.4038890 1.0000000
|
|
P 1
|
|
1 0.0951630 1.0000000
|
|
P 1
|
|
1 0.0320360 1.0000000
|
|
D 1
|
|
1 0.9647710 1.0000000
|
|
D 1
|
|
1 0.3941280 1.0000000
|
|
D 1
|
|
1 0.1610090 1.0000000
|
|
D 1
|
|
1 0.0628290 1.0000000
|
|
F 1
|
|
1 0.5924370 1.0000000
|
|
F 1
|
|
1 0.2287610 1.0000000
|
|
F 1
|
|
1 0.1042840 1.0000000
|
|
G 1
|
|
1 0.4281190 1.0000000
|
|
G 1
|
|
1 0.2102630 1.0000000
|
|
|
|
IODINE
|
|
S 11
|
|
1 208.3634160 0.0000170
|
|
2 117.8734120 0.0000430
|
|
3 66.6822490 -0.0002200
|
|
4 37.7228610 0.0008860
|
|
5 21.3402260 -0.0029400
|
|
6 12.0723940 0.0131530
|
|
7 6.8294820 -0.0737860
|
|
8 3.8635110 0.2725530
|
|
9 2.1856300 -0.2496550
|
|
10 1.2364340 -0.4287590
|
|
11 0.0775970 0.1220050
|
|
S 1
|
|
1 0.3405190 1.0000000
|
|
S 1
|
|
1 0.6858370 1.0000000
|
|
S 1
|
|
1 0.1656200 1.0000000
|
|
S 1
|
|
1 0.0581080 1.0000000
|
|
P 7
|
|
1 9.5386090 0.0019140
|
|
2 5.9554680 -0.0213810
|
|
3 3.7183190 0.0942320
|
|
4 2.3215470 -0.0995310
|
|
5 1.4494670 -0.1457100
|
|
6 0.9049800 -0.0001730
|
|
7 0.0496780 0.0744090
|
|
P 1
|
|
1 0.2183660 1.0000000
|
|
P 1
|
|
1 0.4373980 1.0000000
|
|
P 1
|
|
1 0.1059870 1.0000000
|
|
P 1
|
|
1 0.0376530 1.0000000
|
|
D 1
|
|
1 1.0796940 1.0000000
|
|
D 1
|
|
1 0.4488510 1.0000000
|
|
D 1
|
|
1 0.1865970 1.0000000
|
|
D 1
|
|
1 0.0747970 1.0000000
|
|
F 1
|
|
1 0.7012160 1.0000000
|
|
F 1
|
|
1 0.2728500 1.0000000
|
|
F 1
|
|
1 0.1507360 1.0000000
|
|
G 1
|
|
1 0.4798740 1.0000000
|
|
G 1
|
|
1 0.2442490 1.0000000
|
|
|
|
|