PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-14 18:13:51 +01:00
Code Releases Activity
e8d8f73475
QuantumPackage/data/basis/mini
Anthony Scemama 24d9745056 Initial commit
2019-01-25 11:39:31 +01:00

338 lines
11 KiB
Plaintext
Raw Blame History

HYDROGEN
S 3
1 7.0340630 0.0704520
2 1.0647560 0.4078260
3 0.2365590 0.6477520
HELIUM
S 3
1 13.6267360 0.0802410
2 1.9993490 0.4091430
3 0.3829930 0.6572780
LITHIUM
S 3
1 35.0461500 0.0737600
2 5.2016900 0.3974710
3 1.0562400 0.6650920
S 3
1 0.8512530 -0.0939700
2 0.0839510 0.5701000
3 0.0325540 0.4997500
BERYLLIUM
S 3
1 66.9535400 0.0702000
2 9.9392900 0.3919100
3 2.0571300 0.6699700
S 3
1 2.3348560 -0.0828200
2 0.1969760 0.5575530
3 0.0674490 0.5160430
BORON
S 3
1 108.4370400 0.0686510
2 16.1205600 0.3899330
3 3.3734300 0.6713950
S 3
1 4.4578540 -0.0824190
2 0.3693150 0.5590640
3 0.1225550 0.5167950
P 3
1 3.2148920 0.1059000
2 0.6461360 0.4571800
3 0.1539160 0.6318610
CARBON
S 3
1 153.1722600 0.0707400
2 23.0730300 0.3953800
3 4.9232900 0.6633110
S 3
1 6.6166120 -0.0813800
2 0.5258560 0.5748530
3 0.1699580 0.5024130
P 3
1 4.9129200 0.1099310
2 0.9976160 0.4627130
3 0.2326850 0.6275140
NITROGEN
S 3
1 218.3644900 0.0678700
2 32.5988900 0.3902020
3 6.9173900 0.6700830
S 3
1 8.9194260 -0.0808900
2 0.7061410 0.5672020
3 0.2250540 0.5110920
P 3
1 6.5562720 0.1159190
2 1.3490790 0.4699580
3 0.3122090 0.6184480
OXYGEN
S 3
1 281.8665800 0.0690600
2 42.4160000 0.3931590
3 9.0956200 0.6656690
S 3
1 11.7893260 -0.0808200
2 0.9128940 0.5820900
3 0.2866610 0.4971600
P 3
1 8.2741400 0.1242710
2 1.7154630 0.4765940
3 0.3830130 0.6130440
FLUORINE
S 3
1 368.3711200 0.0670400
2 55.0610600 0.3892490
3 11.7476700 0.6707880
S 3
1 15.3647080 -0.0805500
2 1.1675460 0.5877290
3 0.3631410 0.4919790
P 3
1 10.7256670 0.1262700
2 2.2258170 0.4779480
3 0.4861050 0.6140080
NEON
S 3
1 456.9528500 0.0669100
2 68.3654300 0.3893490
3 14.6197600 0.6705180
S 3
1 19.3271900 -0.0802500
2 1.4418200 0.5952980
3 0.4440800 0.4848680
P 3
1 13.3525200 0.1288400
2 2.7794700 0.4804410
3 0.6009700 0.6116720
SODIUM
S 3
1 542.7605300 0.0684100
2 81.9594700 0.3920920
3 17.7237700 0.6660840
S 3
1 23.2804200 -0.0838010
2 1.8683400 0.5827940
3 0.6232500 0.4924740
S 3
1 0.6176110 -0.1157620
2 0.0652190 0.6958630
3 0.0253510 0.3810470
P 3
1 17.8363600 0.1257100
2 3.7956900 0.4804610
3 0.8775100 0.6022810
MAGNESIUM
S 3
1 650.6433670 0.0680300
2 98.3707800 0.3907380
3 21.3224900 0.6672670
S 3
1 27.9773800 -0.0867200
2 2.3265200 0.5856970
3 0.8180800 0.4864970
S 3
1 1.0847510 -0.1276510
2 0.1183140 0.6507730
3 0.0431240 0.4362720
P 3
1 23.2166200 0.1214600
2 5.0022200 0.4792910
3 1.2046500 0.5989420
ALUMINUM
S 3
1 777.4433400 0.0668870
2 117.2315300 0.3877680
3 25.3762970 0.6707030
S 3
1 33.3562530 -0.0889560
2 2.8013150 0.6010610
3 1.0227330 0.4687860
S 3
1 1.6852460 -0.1513890
2 0.2049690 0.6593860
3 0.0747900 0.4386930
P 3
1 30.5695800 0.1123530
2 6.6447010 0.4674670
3 1.6543950 0.6097820
P 3
1 0.0566130 0.3964700
2 0.3799200 0.2264330
3 0.1468810 0.5005860
SILICON
S 3
1 909.2348700 0.0664050
2 137.1245600 0.3862220
3 29.7148100 0.6722400
S 3
1 39.1294230 -0.0909990
2 3.3359810 0.6116150
3 1.2512590 0.4568600
S 3
1 2.1976490 -0.1687330
2 0.2759270 0.6754530
3 0.1004250 0.4294190
P 3
1 37.8817610 0.1087530
2 8.3045980 0.4635150
3 2.1207920 0.6113340
P 3
1 0.5457890 0.2389130
2 0.0760070 0.3454530
3 0.2082200 0.5422950
PHOSPHORUS
S 3
1 1053.2658000 0.0658650
2 158.7904400 0.3845780
3 34.4244070 0.6739630
S 3
1 45.4503770 -0.0926550
2 3.8999260 0.6265130
3 1.4885070 0.4410390
S 3
1 2.4694830 -0.1805490
2 0.3208720 0.6809520
3 0.1168320 0.4291420
P 3
1 46.1000190 0.1053880
2 10.1650570 0.4597120
3 2.6447940 0.6137140
P 3
1 0.6790590 0.2358850
2 0.2578260 0.5541600
3 0.0927830 0.3365300
SULFUR
S 3
1 1201.4584000 0.0657650
2 181.3921200 0.3839480
3 39.4047950 0.6743720
S 3
1 52.1390300 -0.0942320
2 4.5287990 0.6354680
3 1.7549380 0.4315060
S 3
1 2.9205260 0.1900420
2 0.3921870 -0.6855270
3 0.1426990 -0.4292720
P 3
1 54.6440710 0.1036730
2 12.1229020 0.4581900
3 3.2065040 0.6134000
P 3
1 0.8876150 0.2294360
2 0.1117430 0.3537000
3 0.3271000 0.5529600
CHLORINE
S 3
1 1362.0220000 0.0655440
2 205.8111000 0.3829870
3 44.7721670 0.6752100
S 3
1 59.2257320 -0.0956200
2 5.2139020 0.6414260
3 2.0473460 0.4251530
S 3
1 3.4471240 0.1964010
2 0.4737850 -0.6923600
3 0.1713210 -0.4261930
P 3
1 64.0999580 0.1017890
2 14.2871390 0.4561070
3 3.8281350 0.6142820
P 3
1 1.1039040 0.2359030
2 0.1332360 0.3466000
3 0.3991780 0.5580660
ARGON
S 3
1 1536.9325000 0.0651590
2 232.1776500 0.3818070
3 50.5216850 0.6764460
S 3
1 66.9339490 -0.0967400
2 5.9185520 0.6527490
3 2.3393420 0.4135730
S 3
1 4.0453070 0.2007360
2 0.5657010 -0.6962680
3 0.2040650 -0.4248430
P 3
1 74.3529150 0.1000790
2 16.6313460 0.4542260
3 4.5039270 0.6152590
P 3
1 1.3570910 0.2372760
2 0.4881130 0.5583600
3 0.1621260 0.3461650
POTASSIUM
S 3
1 1721.1755000 0.0648750
2 260.0163300 0.3808590
3 56.6245540 0.6773680
S 3
1 75.0556000 -0.0978730
2 6.6911630 0.6595600
3 2.6671660 0.4065290
S 3
1 4.6689370 -0.2129300
2 0.7000130 0.6892490
3 0.2753340 0.4339250
S 3
1 0.3227470 -0.1529800
2 0.0481360 0.6817280
3 0.0207460 0.4144830
P 3
1 85.7898460 0.0980350
2 19.2547940 0.4510410
3 5.2686240 0.6177080
P 3
1 1.6831450 0.2386360
2 0.6258090 0.5710570
3 0.2238980 0.3165360
CALCIUM
S 3
1 1915.4348000 0.0646240
2 289.5332400 0.3798380
3 63.1063520 0.6783290
S 3
1 83.6332800 -0.0988820
2 7.5118400 0.6660270
3 3.0145850 0.3999120
S 3
1 5.3707540 -0.2235310
2 0.8383800 0.7028860
3 0.3462260 0.4235520
S 3
1 0.5068340 -0.1793100
2 0.0733270 0.6728790
3 0.0294240 0.4356660
P 3
1 97.9745920 0.0963160
2 22.0673840 0.4481080
3 6.0938760 0.6199210
P 3
1 2.0178860 0.2450290
2 0.7666510 0.5843850
3 0.2843190 0.2876660
View Git Blame Copy Permalink