PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-16 19:13:50 +01:00
Code Releases Activity
970fd8837a
QuantumPackage/data/basis/dzp_dunning
Anthony Scemama 24d9745056 Initial commit
2019-01-25 11:39:31 +01:00

350 lines
11 KiB
Plaintext
Raw Blame History

HYDROGEN
S 3
1 19.2406000 0.0328280
2 2.8992000 0.2312080
3 0.6534000 0.8172380
S 1
1 0.1776000 1.0000000
P 1
1 1.0000000 1.0000000
LITHIUM
S 6
1 921.3000000 0.0013670
2 138.7000000 0.0104250
3 31.9400000 0.0498590
4 9.3530000 0.1607010
5 3.1580000 0.3446040
6 1.1570000 0.4251970
S 1
1 0.4446000 1.0000000
S 1
1 0.0766600 1.0000000
S 1
1 0.0286400 1.0000000
P 3
1 1.4880000 0.0387700
2 0.2667000 0.2362570
3 0.0720100 0.8304480
P 1
1 0.0237000 1.0000000
D 1
1 0.2000000 1.0000000
BORON
S 6
1 2788.4100000 0.0021220
2 419.0390000 0.0161710
3 96.4683000 0.0783560
4 28.0694000 0.2632500
5 9.3760000 0.5967290
6 1.3057000 0.2303970
S 1
1 3.4062000 1.0000000
S 1
1 0.3245000 1.0000000
S 1
1 0.1022000 1.0000000
P 4
1 11.3413000 0.0179870
2 2.4360000 0.1103390
3 0.6836000 0.3831110
4 0.2134000 0.6478600
P 1
1 0.0701000 1.0000000
D 1
1 0.7000000 1.0000000
CARBON
S 6
1 4232.6100000 0.0020290
2 634.8820000 0.0155350
3 146.0970000 0.0754110
4 42.4974000 0.2571210
5 14.1892000 0.5965550
6 1.9666000 0.2425170
S 1
1 5.1477000 1.0000000
S 1
1 0.4962000 1.0000000
S 1
1 0.1533000 1.0000000
P 4
1 18.1557000 0.0185340
2 3.9864000 0.1154420
3 1.1429000 0.3862060
4 0.3594000 0.6400890
P 1
1 0.1146000 1.0000000
D 1
1 0.7500000 1.0000000
NITROGEN
S 6
1 5909.4400000 0.0020040
2 887.4510000 0.0153100
3 204.7490000 0.0742930
4 59.8376000 0.2533640
5 19.9981000 0.6005760
6 2.6860000 0.2451110
S 1
1 7.1927000 1.0000000
S 1
1 0.7000000 1.0000000
S 1
1 0.2133000 1.0000000
P 4
1 26.7860000 0.0182570
2 5.9564000 0.1164070
3 1.7074000 0.3901110
4 0.5314000 0.6372210
P 1
1 0.1654000 1.0000000
D 1
1 0.8000000 1.0000000
OXYGEN
S 6
1 7816.5400000 0.0020310
2 1175.8200000 0.0154360
3 273.1880000 0.0737710
4 81.1696000 0.2476060
5 27.1836000 0.6118320
6 3.4136000 0.2412050
S 1
1 9.5322000 1.0000000
S 1
1 0.9398000 1.0000000
S 1
1 0.2846000 1.0000000
P 4
1 35.1832000 0.0195800
2 7.9040000 0.1241890
3 2.3051000 0.3947270
4 0.7171000 0.6273750
P 1
1 0.2137000 1.0000000
D 1
1 0.8500000 1.0000000
FLUORINE
S 6
1 9994.7900000 0.0020170
2 1506.0300000 0.0152950
3 350.2690000 0.0731100
4 104.0530000 0.2464200
5 34.8432000 0.6125930
6 4.3688000 0.2424890
S 1
1 12.2164000 1.0000000
S 1
1 1.2078000 1.0000000
S 1
1 0.3634000 1.0000000
P 4
1 44.3555000 0.0208680
2 10.0820000 0.1300920
3 2.9959000 0.3962190
4 0.9383000 0.6203680
P 1
1 0.2733000 1.0000000
D 1
1 0.9000000 1.0000000
NEON
S 7
1 12100.0000000 0.0012000
2 1821.0000000 0.0090920
3 432.8000000 0.0413050
4 132.5000000 0.1378670
5 43.7700000 0.3624330
6 14.9100000 0.4722470
7 5.1270000 0.1300350
S 1
1 14.9100000 1.0000000
S 1
1 1.4910000 1.0000000
S 1
1 0.4468000 1.0000000
P 4
1 56.4500000 0.0208750
2 12.9200000 0.1300320
3 3.8650000 0.3956790
4 1.2030000 0.6214500
P 1
1 0.3444000 1.0000000
D 1
1 0.9500000 1.0000000
ALUMINUM
S 5
1 23490.0000000 0.0025090
2 3548.0000000 0.0189860
3 823.5000000 0.0929140
4 237.7000000 0.3359350
5 78.6000000 0.6473910
S 3
1 78.6000000 0.1119370
2 29.0500000 0.6559760
3 11.6200000 0.2833490
S 1
1 3.4650000 1.0000000
S 1
1 1.2330000 1.0000000
S 1
1 0.2018000 1.0000000
S 1
1 0.0780500 1.0000000
P 4
1 141.5000000 0.0178820
2 33.2200000 0.1203750
3 10.3900000 0.4115800
4 3.5930000 0.5953530
P 2
1 3.5930000 0.2117580
2 1.2420000 0.8377950
P 1
1 0.3040000 1.0000000
P 1
1 0.0762900 1.0000000
D 1
1 0.3250000 1.0000000
SILICON
S 5
1 26740.0000000 0.0025830
2 4076.0000000 0.0192370
3 953.3000000 0.0938430
4 274.6000000 0.3412350
5 90.6800000 0.6416750
S 3
1 90.6800000 0.1214390
2 33.5300000 0.6531430
3 13.4600000 0.2776240
S 1
1 4.0510000 1.0000000
S 1
1 1.4840000 1.0000000
S 1
1 0.2704000 1.0000000
S 1
1 0.0993200 1.0000000
P 4
1 163.7000000 0.0114980
2 38.3500000 0.0777260
3 12.0200000 0.2635950
4 4.1850000 0.7582690
P 2
1 4.1850000 -1.1730450
2 1.4830000 1.4383350
P 1
1 0.3350000 1.0000000
P 1
1 0.0969900 1.0000000
D 1
1 0.5500000 1.0000000
PHOSPHORUS
S 5
1 30630.0000000 0.0026190
2 4684.0000000 0.0194790
3 1094.0000000 0.0952070
4 315.3000000 0.3457420
5 104.1000000 0.6362880
S 3
1 104.1000000 0.1307060
2 38.4200000 0.6502740
3 15.4500000 0.2723080
S 1
1 4.6560000 1.0000000
S 1
1 1.7590000 1.0000000
S 1
1 0.3409000 1.0000000
S 1
1 0.1238000 1.0000000
P 4
1 187.7000000 0.0131580
2 43.6300000 0.0904940
3 13.6000000 0.3050540
4 4.7660000 0.7135790
P 2
1 4.7660000 -0.7925730
2 1.7430000 1.4299870
P 1
1 0.4192000 1.0000000
P 1
1 0.1245000 1.0000000
D 1
1 0.6000000 1.0000000
SULFUR
S 5
1 35710.0000000 0.0025650
2 5397.0000000 0.0194050
3 1250.0000000 0.0955950
4 359.9000000 0.3457930
5 119.2000000 0.6357940
S 3
1 119.2000000 0.1300960
2 43.9800000 0.6513010
3 17.6300000 0.2719550
S 1
1 5.4200000 1.0000000
S 1
1 2.0740000 1.0000000
S 1
1 0.4246000 1.0000000
S 1
1 0.1519000 1.0000000
P 4
1 212.9000000 0.0140910
2 49.6000000 0.0966850
3 15.5200000 0.3238740
4 5.4760000 0.6917560
P 2
1 5.4760000 -0.6267370
2 2.0440000 1.3770510
P 1
1 0.5218000 1.0000000
P 1
1 0.1506000 1.0000000
D 1
1 0.7000000 1.0000000
CHLORINE
S 5
1 40850.0000000 0.0025320
2 6179.0000000 0.0192070
3 1425.0000000 0.0952570
4 409.2000000 0.3455890
5 135.5000000 0.6364010
S 3
1 135.5000000 0.1209560
2 50.1300000 0.6485110
3 20.2100000 0.2754870
S 1
1 6.2830000 1.0000000
S 1
1 2.4600000 1.0000000
S 1
1 0.5271000 1.0000000
S 1
1 0.1884000 1.0000000
P 4
1 240.8000000 0.0145950
2 56.5600000 0.0990470
3 17.8500000 0.3305620
4 6.3500000 0.6828740
P 2
1 6.3500000 -0.5617850
2 2.4030000 1.3519010
P 1
1 0.6410000 1.0000000
P 1
1 0.1838000 1.0000000
D 1
1 0.7500000 1.0000000
View Git Blame Copy Permalink