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mirror of https://github.com/pfloos/quack synced 2024-10-31 19:23:52 +01:00
quack/basis/cc-pvtz_sdb
2020-01-17 13:57:03 +01:00

463 lines
17 KiB
Plaintext

GALLIUM
S 12
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 0.4934650 0.0809420
12 0.0442640 0.1400920
S 1
1 0.2128450 1.0000000
S 1
1 0.0976160 1.0000000
P 8
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 0.3257830 0.1817710
8 0.0274030 0.1471610
P 1
1 0.1428090 1.0000000
P 1
1 0.0628660 1.0000000
D 1
1 0.3158480 1.0000000
D 1
1 0.1115430 1.0000000
F 1
1 0.2838330 1.0000000
GERMANIUM
S 12
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 0.5804130 -0.0220740
12 0.0612490 0.1710640
S 1
1 0.3085610 1.0000000
S 1
1 0.1385560 1.0000000
P 8
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 0.4381410 0.1875780
8 0.0394470 0.1315550
P 1
1 0.2001130 1.0000000
P 1
1 0.0899340 1.0000000
D 1
1 0.4040690 1.0000000
D 1
1 0.1474090 1.0000000
F 1
1 0.3534250 1.0000000
ARSENIC
S 12
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 0.2578990 0.5387640
12 0.0624670 0.0794250
S 1
1 0.5075100 1.0000000
S 1
1 0.1284130 1.0000000
P 8
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 0.2455840 0.4434070
8 0.0505590 0.1110690
P 1
1 0.5249080 1.0000000
P 1
1 0.1131620 1.0000000
D 1
1 0.4015240 1.0000000
D 1
1 0.1716520 1.0000000
F 1
1 0.4315080 1.0000000
SELENIUM
S 12
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 0.3134160 0.5510190
12 0.0751520 0.0818210
S 1
1 0.6044890 1.0000000
S 1
1 0.1564510 1.0000000
P 8
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 0.2546820 0.4379090
8 0.0539470 0.0868900
P 1
1 0.5326430 1.0000000
P 1
1 0.1191950 1.0000000
D 1
1 0.4754120 1.0000000
D 1
1 0.2077760 1.0000000
F 1
1 0.4817040 1.0000000
BROMINE
S 12
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 0.3988620 0.5908340
12 0.0901270 0.0897840
S 1
1 0.9528400 1.0000000
S 1
1 0.1919290 1.0000000
P 8
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 0.3131070 0.4482900
8 0.0641740 0.0906150
P 1
1 0.1442090 1.0000000
P 1
1 0.6656170 1.0000000
D 1
1 0.6013860 1.0000000
D 1
1 0.2523660 1.0000000
F 1
1 0.5812580 1.0000000
KRYPTON
S 12
1 442.8931540 0.0001200
2 239.2602730 -0.0001660
3 129.2534720 0.0004420
4 69.8254670 -0.0003420
5 37.7211980 0.0009320
6 20.3777910 -0.0000170
7 11.0085150 -0.0162340
8 5.9470330 0.1429740
9 3.2127130 -0.2390570
10 1.7355760 -0.3468200
11 0.4453280 0.5975600
12 0.1024490 0.0837230
S 1
1 0.9199970 1.0000000
S 1
1 0.2168650 1.0000000
P 8
1 23.8489560 0.0005090
2 12.8722890 -0.0022670
3 6.9477180 0.0220690
4 3.7499770 -0.0677550
5 2.0240210 -0.0929880
6 1.0924500 0.1288200
7 0.2780400 0.4046340
8 0.0645370 0.0510250
P 1
1 0.5570170 1.0000000
P 1
1 0.1363200 1.0000000
D 1
1 0.6924520 1.0000000
D 1
1 0.2960830 1.0000000
F 1
1 0.7042210 1.0000000
INDIUM
S 12
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 0.5397780 -0.0474790
12 0.0408800 0.1725080
S 1
1 0.2006590 1.0000000
S 1
1 0.0910510 1.0000000
P 8
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 0.4261390 0.0661640
8 0.0281940 0.2193230
P 1
1 0.1658410 1.0000000
P 1
1 0.0683640 1.0000000
D 2
1 0.6271790 -0.1550755
2 0.2358160 0.7292935
D 1
1 0.0886660 1.0000000
F 1
1 0.2390940 1.0000000
TIN
S 12
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 0.3849200 0.2148350
12 0.0444900 0.0956740
S 1
1 0.1866400 1.0000000
S 1
1 0.0920920 1.0000000
P 8
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 0.5507720 0.0285410
8 0.0396340 0.2073430
P 1
1 0.2244350 1.0000000
P 1
1 0.0951810 1.0000000
D 1
1 0.2699130 1.0000000
D 1
1 0.1140290 1.0000000
F 1
1 0.2846360 1.0000000
ANTIMONY
S 12
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
12 0.0598450 0.1430470
S 1
1 0.2706150 1.0000000
S 1
1 0.1285220 1.0000000
P 8
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 0.6098900 0.0253020
8 0.0500490 0.1852460
P 1
1 0.2681730 1.0000000
P 1
1 0.1174810 1.0000000
D 1
1 0.2902980 1.0000000
D 1
1 0.1427360 1.0000000
F 1
1 0.3351440 1.0000000
TELLURIUM
S 13
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 0.3022750 0.5650470
13 0.0680180 0.1275080
S 1
1 0.6333530 1.0000000
S 1
1 0.1455260 1.0000000
P 9
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 0.1981350 0.4699770
9 0.0443650 0.0829350
P 1
1 0.4038890 1.0000000
P 1
1 0.0951630 1.0000000
D 2
1 0.9647710 -0.1793582
2 0.3941280 0.5744324
D 1
1 0.1610090 1.0000000
F 1
1 0.3609320 1.0000000
IODINE
S 12
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 0.3405190 0.5919630
12 0.0775970 0.1220050
S 1
1 0.6858370 1.0000000
S 1
1 0.1656200 1.0000000
P 8
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 0.2183660 0.4617230
8 0.0496780 0.0744090
P 1
1 0.4373980 1.0000000
P 1
1 0.1059870 1.0000000
D 2
1 1.0796940 -0.1205572
2 0.4488510 0.5583476
D 1
1 0.1865970 1.0000000
F 1
1 0.4293190 1.0000000
XENON
S 12
1 226.2482130 -0.0000230
2 127.7239880 0.0001710
3 72.1040700 -0.0006030
4 40.7049380 0.0018320
5 22.9791740 -0.0058310
6 12.9724410 0.0243180
7 7.3233370 -0.1199020
8 4.1342460 0.3889070
9 2.3339080 -0.3587420
10 1.3175620 -0.4510790
11 0.3632860 0.6162500
12 0.0856590 0.1069240
S 1
1 0.6610530 1.0000000
S 1
1 0.1802750 1.0000000
P 8
1 10.5866780 0.0013770
2 6.4624630 -0.0151590
3 3.9449040 0.0789220
4 2.4081020 -0.1049280
5 1.4699860 -0.1513750
6 0.8973290 0.0393470
7 0.2325120 0.4537510
8 0.0547600 0.0611170
P 1
1 0.4590930 1.0000000
P 1
1 0.1148580 1.0000000
D 1
1 0.4406030 1.0000000
D 1
1 0.2286500 1.0000000
F 1
1 0.5156420 1.0000000