/usr/share/nwchem/libraries/cc-pvtzseg-opt is in nwchem-data 6.3+r1-1build1.
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# Elements References
# -------- ----------
# H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# He : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
# Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
# Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
#
basis "H_cc-pVTZ(seg-opt)" SPHERICAL
H S
33.8700000 0.0060680
5.0950000 0.0453080
1.1590000 0.2028220
H S
0.3258000 1.0000000
H S
0.1027000 1.0000000
H P
1.4070000 1.0000000
H P
0.3880000 1.0000000
H D
1.0570000 1.0000000
end
basis "He_cc-pVTZ(seg-opt)" SPHERICAL
He S
234.0000000 0.0025870
35.1600000 0.0195330
7.9890000 0.0909980
2.2120000 0.2720500
He S
0.6669000 1.0000000
He S
0.2089000 1.0000000
He P
3.0440000 1.0000000
He P
0.7580000 1.0000000
He D
1.9650000 1.0000000
end
basis "Li_cc-pVTZ(seg-opt)" SPHERICAL
Li S
5988.0000000 0.00013237
898.9000000 0.00102211
205.9000000 0.00527588
59.2400000 0.02078064
19.8700000 0.06592446
7.4060000 0.16054282
2.9300000 0.29921270
1.1890000 0.30576640
Li S
5988.0000000 -0.00000060
898.9000000 -0.00000302
59.2400000 -0.00013601
19.8700000 -0.00038568
7.4060000 -0.00444707
2.9300000 -0.01333675
1.1890000 -0.07312955
0.4798000 -0.15864980
Li S
0.0750900 1.0000000
Li S
0.0283200 1.0000000
Li P
3.2660000 0.0086300
0.6511000 0.0475380
0.1696000 0.2097720
Li P
0.0557800 1.0000000
Li P
0.0205000 1.0000000
Li D
0.1874000 1.0000000
Li D
0.0801000 1.0000000
Li F
0.1829000 1.0000000
end
basis "Be_cc-pVTZ(seg-opt)" SPHERICAL
Be S
6863.0000000 0.00023697
1030.0000000 0.00183351
234.7000000 0.00949070
66.5600000 0.03811189
21.6900000 0.12044231
7.7340000 0.28323718
2.9160000 0.42869672
1.1300000 0.26626506
Be S
6863.0000000 0.00000046
1030.0000000 0.00000316
66.5600000 -0.00005417
21.6900000 -0.00145666
7.7340000 -0.00841851
2.9160000 -0.04806918
1.1300000 -0.11598660
0.1101000 0.76803258
Be S
0.2577000 1.0000000
Be S
0.0440900 1.0000000
Be P
7.4360000 0.0107360
1.5770000 0.0628540
0.4352000 0.2481800
Be P
0.1438000 1.0000000
Be P
0.0499400 1.0000000
Be D
0.3480000 1.0000000
Be D
0.1803000 1.0000000
Be F
0.3250000 1.0000000
end
basis "B_cc-pVTZ(seg-opt)" SPHERICAL
B S
5473.0000000 0.00056047
820.9000000 0.00433323
186.8000000 0.02216427
52.8300000 0.08526216
17.0800000 0.24081715
5.9990000 0.43885032
2.2080000 0.34375171
B S
5473.0000000 0.00000183
820.9000000 0.00001141
52.8300000 -0.00057275
17.0800000 -0.00649550
5.9990000 -0.03990123
2.2080000 -0.12711517
0.2415000 0.78684972
B S
0.5879000 1.0000000
B S
0.0861000 1.0000000
B P
12.0500000 0.0131180
2.6130000 0.0798960
0.7475000 0.2772750
B P
0.2385000 1.0000000
B P
0.0769800 1.0000000
B D
0.6610000 1.0000000
B D
0.1990000 1.0000000
B F
0.4900000 1.0000000
end
basis "C_cc-pVTZ(seg-opt)" SPHERICAL
C S
8236.0000000 0.00053670
1235.0000000 0.00415208
280.8000000 0.02131275
79.2700000 0.08272152
25.5900000 0.23725167
8.9970000 0.43854383
3.3190000 0.34837651
C S
8236.0000000 0.00000174
1235.0000000 0.00000850
79.2700000 -0.00067257
25.5900000 -0.00686089
8.9970000 -0.04399137
3.3190000 -0.12633645
0.3643000 0.78671121
C S
0.9059000 1.0000000
C S
0.1285000 1.0000000
C P
18.7100000 0.0140310
4.1330000 0.0868660
1.2000000 0.2902160
C P
0.3827000 1.0000000
C P
0.1209000 1.0000000
C D
1.0970000 1.0000000
C D
0.3180000 1.0000000
C F
0.7610000 1.0000000
end
basis "N_cc-pVTZ(seg-opt)" SPHERICAL
N S
11420.0000000 0.00052898
1712.0000000 0.00409115
389.3000000 0.02101161
110.0000000 0.08163835
35.5700000 0.23564992
12.5400000 0.43792615
4.6440000 0.35006007
N S
11420.0000000 0.00000185
1712.0000000 0.00000699
110.0000000 -0.00073647
35.5700000 -0.00718168
12.5400000 -0.04679022
4.6440000 -0.12512392
0.5118000 0.78627029
N S
1.2930000 1.0000000
N S
0.1787000 1.0000000
N P
26.6300000 0.0146700
5.9480000 0.0917640
1.7420000 0.2986830
N P
0.5550000 1.0000000
N P
0.1725000 1.0000000
N D
1.6540000 1.0000000
N D
0.4690000 1.0000000
N F
1.0930000 1.0000000
end
basis "O_cc-pVTZ(seg-opt)" SPHERICAL
O S
15330.0000000 0.00051408
2299.0000000 0.00397596
522.4000000 0.02048460
147.3000000 0.08011793
47.5500000 0.23336300
16.7600000 0.43777601
6.2070000 0.35313006
O S
15330.0000000 0.00000176
2299.0000000 0.00000630
147.3000000 -0.00077290
47.5500000 -0.00737531
16.7600000 -0.04881128
6.2070000 -0.12510028
0.6882000 0.78780067
O S
1.7520000 1.0000000
O S
0.2384000 1.0000000
O P
34.4600000 0.0159280
7.7490000 0.0997400
2.2800000 0.3104920
O P
0.7156000 1.0000000
O P
0.2140000 1.0000000
O D
2.3140000 1.0000000
O D
0.6450000 1.0000000
O F
1.4280000 1.0000000
end
basis "F_cc-pVTZ(seg-opt)" SPHERICAL
F S
19500.0000000 0.00051317
2923.0000000 0.00397063
664.5000000 0.02044497
187.5000000 0.07995975
60.6200000 0.23315620
21.4200000 0.43760606
7.9500000 0.35294929
F S
19500.0000000 0.00000182
2923.0000000 0.00000533
187.5000000 -0.00083067
60.6200000 -0.00763296
21.4200000 -0.05084396
7.9500000 -0.12415851
0.8815000 0.78784198
F S
2.2570000 1.0000000
F S
0.3041000 1.0000000
F P
43.8800000 0.0166650
9.9260000 0.1044720
2.9300000 0.3172600
F P
0.9132000 1.0000000
F P
0.2672000 1.0000000
F D
3.1070000 1.0000000
F D
0.8550000 1.0000000
F F
1.9170000 1.0000000
end
basis "Ne_cc-pVTZ(seg-opt)" SPHERICAL
Ne S
24350.0000000 0.00050823
3650.0000000 0.00392910
829.6000000 0.02024455
234.0000000 0.07938036
75.6100000 0.23244288
26.7300000 0.43756632
9.9270000 0.35377001
Ne S
24350.0000000 0.00000120
3650.0000000 0.00000568
234.0000000 -0.00085669
75.6100000 -0.00777524
26.7300000 -0.05216781
9.9270000 -0.12343198
1.1020000 0.78771889
Ne S
2.8360000 1.0000000
Ne S
0.3782000 1.0000000
Ne P
54.7000000 0.0171510
12.4300000 0.1076560
3.6790000 0.3216810
Ne P
1.1430000 1.0000000
Ne P
0.3300000 1.0000000
Ne D
4.0140000 1.0000000
Ne D
1.0960000 1.0000000
Ne F
2.5440000 1.0000000
end
basis "Na_cc-pVTZ(seg-opt)" SPHERICAL
Na S
423000.0000000 0.00001806
63340.0000000 0.00014043
14410.0000000 0.00073845
4077.0000000 0.00311187
1328.0000000 0.01120829
478.6000000 0.03528361
186.2000000 0.09599265
76.9200000 0.21374731
33.3200000 0.34872680
15.0000000 0.32465964
6.8690000 0.11265222
2.6830000 0.00670647
Na S
423000.0000000 0.00000003
63340.0000000 0.00000014
14410.0000000 0.00000128
1328.0000000 -0.00000121
478.6000000 -0.00022002
186.2000000 -0.00136144
76.9200000 -0.00899851
33.3200000 -0.03414214
15.0000000 -0.09159224
6.8690000 -0.01797881
2.6830000 0.37594796
1.1090000 0.62159455
Na S
423000.0000000 0.00000007
63340.0000000 0.00000032
14410.0000000 0.00000298
478.6000000 -0.00048984
186.2000000 -0.00298653
76.9200000 -0.01998258
33.3200000 -0.07538099
15.0000000 -0.20300446
6.8690000 -0.03867926
2.6830000 0.82337412
1.1090000 1.34351812
0.0601500 0.81655145
Na S
0.4540000 1.0000000
Na S
0.0238200 1.0000000
Na P
243.3000000 0.00224410
57.3900000 0.01740132
18.1000000 0.07741973
6.5750000 0.21912976
2.5210000 0.37856395
0.9607000 0.39500854
0.3512000 0.16047908
Na P
57.3900000 -0.00004219
18.1000000 -0.00018968
6.5750000 -0.00185735
2.5210000 -0.00212049
0.9607000 -0.01359725
0.3512000 -0.00766425
0.0982700 0.42316543
Na P
0.0373400 1.0000000
Na P
0.0150000 1.0000000
Na D
0.1367000 1.0000000
Na D
0.0636000 1.0000000
Na F
0.1397000 1.0000000
end
basis "Mg_cc-pVTZ(seg-opt)" SPHERICAL
Mg S
164900.0000000 0.00007299
24710.0000000 0.00056663
5628.0000000 0.00296255
1596.0000000 0.01229586
521.0000000 0.04273194
188.0000000 0.12302264
73.0100000 0.27489904
29.9000000 0.40215007
12.5400000 0.26520544
4.3060000 0.03205631
1.8260000 -0.00788236
Mg S
164900.0000000 0.00000024
24710.0000000 0.00000140
5628.0000000 0.00000889
521.0000000 -0.00012231
188.0000000 -0.00216553
73.0100000 -0.01239675
29.9000000 -0.05692040
12.5400000 -0.08571365
4.3060000 0.20049608
1.8260000 0.58174847
0.7417000 0.37181130
Mg S
164900.0000000 0.00000002
24710.0000000 0.00000010
5628.0000000 0.00000088
188.0000000 -0.00012841
73.0100000 -0.00061244
29.9000000 -0.00305919
12.5400000 -0.00344431
4.3060000 0.00527255
1.8260000 -0.01010335
0.7417000 -0.17126047
0.0761200 0.74321212
Mg S
0.1457000 1.0000000
Mg S
0.0331000 1.0000000
Mg P
316.9000000 0.00207625
74.8600000 0.01629423
23.7200000 0.07389855
8.6690000 0.21436913
3.3630000 0.38224438
1.3100000 0.39817876
0.4911000 0.15261673
Mg P
74.8600000 0.00000028
23.7200000 -0.00040306
8.6690000 -0.00223864
3.3630000 -0.00752997
1.3100000 -0.01648498
0.4911000 -0.03051878
0.2364000 0.40482820
Mg P
0.0873300 1.0000000
Mg P
0.0323700 1.0000000
Mg D
0.1260000 1.0000000
Mg D
0.2940000 1.0000000
Mg F
0.2520000 1.0000000
end
basis "Al_cc-pVTZ(seg-opt)" SPHERICAL
Al S
205500.0000000 0.00006788
30780.0000000 0.00052711
7006.0000000 0.00276184
1985.0000000 0.01147219
649.1000000 0.03981763
235.0000000 0.11504636
91.6200000 0.26094925
37.6700000 0.39670451
15.9100000 0.28518359
5.8500000 0.04356782
2.5420000 -0.00846385
Al S
205500.0000000 0.00000018
30780.0000000 0.00000119
7006.0000000 0.00000616
649.1000000 -0.00015117
235.0000000 -0.00196120
91.6200000 -0.01197597
37.6700000 -0.05337437
15.9100000 -0.09476540
5.8500000 0.14013667
2.5420000 0.56626659
1.0570000 0.43957416
Al S
205500.0000000 0.00000002
30780.0000000 0.00000008
7006.0000000 0.00000071
235.0000000 -0.00010363
91.6200000 -0.00049434
37.6700000 -0.00246131
15.9100000 -0.00288220
5.8500000 0.00221687
2.5420000 -0.01772537
1.0570000 -0.19456360
0.1455000 0.83916779
Al S
0.2931000 1.0000000
Al S
0.0565000 1.0000000
Al P
444.4000000 0.00173391
105.1000000 0.01392263
33.4700000 0.06522521
12.3300000 0.20017866
4.8690000 0.38394850
1.9610000 0.43558565
Al P
105.1000000 -0.00017480
33.4700000 -0.00013319
12.3300000 -0.00475968
4.8690000 -0.00098982
1.9610000 -0.03568968
0.1888000 0.71046193
Al P
0.7834000 1.0000000
Al P
0.0555700 1.0000000
Al D
0.1090000 1.0000000
Al D
0.3330000 1.0000000
Al F
0.2440000 1.0000000
end
basis "Si_cc-pVTZ(seg-opt)" SPHERICAL
Si S
254900.0000000 0.00006251
38190.0000000 0.00048552
8690.0000000 0.00254498
2462.0000000 0.01058597
804.8000000 0.03687741
291.3000000 0.10748259
113.6000000 0.24798550
46.7500000 0.39118703
19.8200000 0.30257711
7.7080000 0.05537785
3.3400000 -0.00712512
Si S
254900.0000000 0.00000014
38190.0000000 0.00000102
8690.0000000 0.00000430
804.8000000 -0.00016040
291.3000000 -0.00176214
113.6000000 -0.01137378
46.7500000 -0.05015152
19.8200000 -0.10096384
7.7080000 0.09639297
3.3400000 0.55498165
1.4020000 0.48600827
Si S
254900.0000000 0.00000001
38190.0000000 0.00000006
8690.0000000 0.00000051
291.3000000 -0.00007508
113.6000000 -0.00036120
46.7500000 -0.00176812
19.8200000 -0.00195575
7.7080000 0.00069489
3.3400000 -0.02685967
1.4020000 -0.21621457
0.2070000 0.86305744
Si S
0.4387000 1.0000000
Si S
0.0794400 1.0000000
Si P
481.5000000 0.00200073
113.9000000 0.01599801
36.2300000 0.07438558
13.3400000 0.22198821
5.2520000 0.40669611
2.1200000 0.41039719
Si P
113.9000000 -0.00016001
36.2300000 -0.00029669
13.3400000 -0.00533559
5.2520000 -0.00421638
2.1200000 -0.03908399
0.2528000 0.74339997
Si P
0.8561000 1.0000000
Si P
0.0788900 1.0000000
Si D
0.1590000 1.0000000
Si D
0.4810000 1.0000000
Si F
0.3360000 1.0000000
end
basis "P_cc-pVTZ(seg-opt)" SPHERICAL
P S
312400.0000000 0.00005769
46800.0000000 0.00044827
10650.0000000 0.00234925
3018.0000000 0.00978211
986.8000000 0.03414554
357.4000000 0.10020529
139.6000000 0.23440516
57.6300000 0.38261335
24.6000000 0.31852212
10.1200000 0.07052989
4.2830000 -0.00412590
P S
312400.0000000 0.00000010
46800.0000000 0.00000084
10650.0000000 0.00000264
986.8000000 -0.00016737
357.4000000 -0.00157765
139.6000000 -0.01067979
57.6300000 -0.04642729
24.6000000 -0.10482865
10.1200000 0.05692825
4.2830000 0.53986949
1.8050000 0.52891840
P S
312400.0000000 0.00000001
46800.0000000 0.00000005
10650.0000000 0.00000049
357.4000000 -0.00007186
139.6000000 -0.00034880
57.6300000 -0.00173921
24.6000000 -0.00210497
10.1200000 0.00061789
4.2830000 -0.02581562
1.8050000 -0.22812942
0.2782000 0.88113942
P S
0.6158000 1.0000000
P S
0.1055000 1.0000000
P P
504.9000000 0.00238498
119.4000000 0.01891905
37.9600000 0.08670049
13.9500000 0.24958297
5.4570000 0.43133755
2.1770000 0.37583743
P P
119.4000000 -0.00007157
37.9600000 -0.00058994
13.9500000 -0.00479764
5.4570000 -0.01113460
2.1770000 -0.02369496
0.2877000 0.75524298
P P
0.8010000 1.0000000
P P
0.0971400 1.0000000
P D
0.2160000 1.0000000
P D
0.6520000 1.0000000
P F
0.4520000 1.0000000
end
basis "S_cc-pVTZ(seg-opt)" SPHERICAL
S S
374100.0000000 0.00005421
56050.0000000 0.00042083
12760.0000000 0.00220688
3615.0000000 0.00919218
1183.0000000 0.03211143
428.8000000 0.09466869
167.8000000 0.22365199
69.4700000 0.37451309
29.8400000 0.32942648
12.7200000 0.08459822
5.2440000 -0.00120266
S S
374100.0000000 0.00000008
56050.0000000 0.00000073
12760.0000000 0.00000156
1183.0000000 -0.00017063
428.8000000 -0.00144297
167.8000000 -0.01013876
69.4700000 -0.04355588
29.8400000 -0.10645153
12.7200000 0.03255928
5.2440000 0.52989908
2.2190000 0.55427692
S S
374100.0000000 0.00000001
56050.0000000 0.00000004
12760.0000000 0.00000033
428.8000000 -0.00004894
167.8000000 -0.00023365
69.4700000 -0.00111784
29.8400000 -0.00100911
12.7200000 0.00053449
5.2440000 -0.03440730
2.2190000 -0.24553177
0.3490000 0.89044878
S S
0.7767000 1.0000000
S S
0.1322000 1.0000000
S P
574.4000000 0.00245950
135.8000000 0.01957291
43.1900000 0.08988185
15.8700000 0.25849862
6.2080000 0.44047201
2.4830000 0.36029891
S P
135.8000000 -0.00000523
43.1900000 -0.00078839
15.8700000 -0.00437243
6.2080000 -0.01678386
2.4830000 -0.00798484
0.3229000 0.74417306
S P
0.8688000 1.0000000
S P
0.1098000 1.0000000
S D
0.2690000 1.0000000
S D
0.8190000 1.0000000
S F
0.5570000 1.0000000
end
basis "Cl_cc-pVTZ(seg-opt)" SPHERICAL
Cl S
456100.0000000 0.00004930
68330.0000000 0.00038302
15550.0000000 0.00200848
4405.0000000 0.00838534
1439.0000000 0.02946977
520.4000000 0.08783241
203.1000000 0.21148481
83.9600000 0.36543021
36.2000000 0.34107709
15.8300000 0.10211190
6.3340000 0.00214144
Cl S
456100.0000000 0.00000005
68330.0000000 0.00000060
15550.0000000 0.00000053
1439.0000000 -0.00016510
520.4000000 -0.00126912
203.1000000 -0.00937050
83.9600000 -0.04021004
36.2000000 -0.10654733
15.8300000 0.00948710
6.3340000 0.51584431
2.6940000 0.57913764
Cl S
456100.0000000 0.00000001
68330.0000000 0.00000003
15550.0000000 0.00000028
520.4000000 -0.00004245
203.1000000 -0.00020761
83.9600000 -0.00100346
36.2000000 -0.00092446
15.8300000 0.00076373
6.3340000 -0.03499594
2.6940000 -0.25495618
0.4313000 0.90028457
Cl S
0.9768000 1.0000000
Cl S
0.1625000 1.0000000
Cl P
663.3000000 0.00243891
156.8000000 0.01949011
49.9800000 0.08977154
18.4200000 0.25965851
7.2400000 0.44305597
2.9220000 0.35535305
Cl P
156.8000000 0.00002226
49.9800000 -0.00090089
18.4200000 -0.00442340
7.2400000 -0.02032677
2.9220000 0.00031901
0.3818000 0.73762441
Cl P
1.0220000 1.0000000
Cl P
0.1301000 1.0000000
Cl D
1.0460000 1.0000000
Cl D
0.3440000 1.0000000
Cl F
0.7060000 1.0000000
end
basis "Ar_cc-pVTZ(seg-opt)" SPHERICAL
Ar S
545000.0000000 0.00004558
81640.0000000 0.00035410
18580.0000000 0.00185795
5261.0000000 0.00776841
1717.0000000 0.02742300
619.9000000 0.08238353
241.6000000 0.20123473
99.7900000 0.35680757
43.1500000 0.34964569
19.1400000 0.11827097
7.4880000 0.00518884
Ar S
545000.0000000 0.00000004
81640.0000000 0.00000051
18580.0000000 -0.00000008
1717.0000000 -0.00015850
619.9000000 -0.00114105
241.6000000 -0.00873152
99.7900000 -0.03755605
43.1500000 -0.10563244
19.1400000 -0.00783901
7.4880000 0.50322656
3.2050000 0.59773139
Ar S
545000.0000000 0.00000001
81640.0000000 0.00000003
18580.0000000 0.00000024
619.9000000 -0.00003652
241.6000000 -0.00018121
99.7900000 -0.00087780
43.1500000 -0.00077047
19.1400000 0.00101525
7.4880000 -0.03616140
3.2050000 -0.26318234
0.5204000 0.90746711
Ar S
1.1960000 1.0000000
Ar S
0.1954000 1.0000000
Ar P
761.8000000 0.00240269
180.2000000 0.01928445
57.5000000 0.08929747
21.2400000 0.25990586
8.3880000 0.44464010
3.4160000 0.35244184
Ar P
180.2000000 0.00003653
57.5000000 -0.00098116
21.2400000 -0.00462553
8.3880000 -0.02303865
3.4160000 0.00599348
0.4523000 0.73378321
Ar P
1.2060000 1.0000000
Ar P
0.1545000 1.0000000
Ar D
0.4100000 1.0000000
Ar D
1.2540000 1.0000000
Ar F
0.8900000 1.0000000
end
basis "Ga_cc-pVTZ(seg-opt)" SPHERICAL
Ga S
6558157.3000000 0.00000800
982025.3400000 0.00006220
223467.6900000 0.00032701
63288.2910000 0.00137940
20642.9400000 0.00499845
7450.5224000 0.01605256
2905.0744000 0.04594568
1204.2100000 0.11481758
524.3045400 0.23535988
237.4656300 0.34598908
110.5786600 0.27759527
51.3746240 0.08587120
24.4408460 0.06376571
11.7685910 0.06898293
5.3421190 0.01326647
Ga S
6558157.3000000 -0.00000002
223467.6900000 0.00000009
20642.9400000 -0.00000666
7450.5224000 -0.00006251
2905.0744000 -0.00052565
1204.2100000 -0.00318951
524.3045400 -0.01601207
237.4656300 -0.05680927
110.5786600 -0.10995882
51.3746240 0.03670142
24.4408460 0.49656133
11.7685910 0.53130695
5.3421190 0.11020454
2.4950360 -0.00388732
Ga S
6558157.3000000 -0.00000005
982025.3400000 0.00000004
223467.6900000 0.00000002
7450.5224000 0.00000385
2905.0744000 0.00001987
1204.2100000 0.00016246
524.3045400 0.00076851
237.4656300 0.00347050
110.5786600 0.00822196
51.3746240 -0.00025760
24.4408460 -0.10978347
11.7685910 -0.27505583
5.3421190 0.12979210
2.4950360 0.71958620
1.0987730 0.43322985
Ga S
6558157.3000000 0.00000001
982025.3400000 -0.00000005
223467.6900000 -0.00000002
2905.0744000 0.00000561
1204.2100000 0.00002567
524.3045400 0.00014226
237.4656300 0.00024796
110.5786600 -0.00018862
51.3746240 -0.00081790
24.4408460 0.02853744
11.7685910 0.09006843
5.3421190 -0.04817356
2.4950360 -0.20307845
1.0987730 0.10641637
0.2601800 -0.52790736
Ga S
0.1270790 1.0000000
Ga S
0.0544080 1.0000000
Ga P
8050.1674000 0.00031690
1907.5361000 0.00276480
618.6274600 0.01512063
235.3241700 0.05995976
98.8996460 0.17332393
44.2482150 0.34111820
20.6174290 0.38976530
9.7805160 0.18373841
4.4412380 0.02096367
Ga P
8050.1674000 -0.00000094
618.6274600 -0.00007229
235.3241700 -0.00025851
98.8996460 -0.00258117
44.2482150 -0.00619712
20.6174290 -0.01487549
9.7805160 0.04999996
4.4412380 0.16478326
1.9640450 0.24875643
Ga P
8050.1674000 0.00000145
235.3241700 -0.00068029
98.8996460 -0.00398694
44.2482150 -0.01757094
20.6174290 -0.02287088
9.7805160 0.09046535
4.4412380 0.42938682
1.9640450 0.39753850
0.8335780 0.28929412
Ga P
0.1934450 1.0000000
Ga P
0.0561170 1.0000000
Ga D
244.1474100 0.0020270
73.0675950 0.0165088
27.5920810 0.0703823
11.5465180 0.1911430
5.0486280 0.3254092
2.1784650 0.3678199
0.9002530 0.2744685
Ga D
0.3373270 1.0000000
Ga D
0.1169000 1.0000000
Ga F
0.2881000 1.0000000
end
basis "Ge_cc-pVTZ(seg-opt)" SPHERICAL
Ge S
7447966.8000000 0.00000740
1115318.2000000 0.00005739
253842.6500000 0.00030190
71915.2850000 0.00127330
23470.1810000 0.00460994
8477.4918000 0.01480236
3308.3908000 0.04238668
1372.6054000 0.10631536
598.2200700 0.21942294
271.3860200 0.32697184
126.9779500 0.26576068
60.2220650 0.10109853
28.0185820 0.16802391
13.5175220 0.20042655
6.3094060 0.04923385
Ge S
1115318.2000000 -0.00000003
253842.6500000 -0.00000001
23470.1810000 -0.00000661
8477.4918000 -0.00005335
3308.3908000 -0.00046763
1372.6054000 -0.00277366
598.2200700 -0.01427179
271.3860200 -0.05137746
126.9779500 -0.10859001
60.2220650 0.00568907
28.0185820 0.45912941
13.5175220 0.55867647
6.3094060 0.13923015
2.9045340 -0.00092042
Ge S
7447966.8000000 0.00000001
253842.6500000 -0.00000004
8477.4918000 0.00000052
3308.3908000 0.00000322
1372.6054000 0.00003244
598.2200700 0.00019678
271.3860200 0.00121903
126.9779500 0.00438777
60.2220650 0.00249005
28.0185820 -0.08048865
13.5175220 -0.27204617
6.3094060 0.07258310
2.9045340 0.74610549
1.2875560 0.49435091
Ge S
7447966.8000000 0.00000007
1115318.2000000 -0.00000004
253842.6500000 -0.00000009
3308.3908000 -0.00000358
1372.6054000 -0.00000367
598.2200700 0.00003661
271.3860200 0.00104059
126.9779500 0.00557838
60.2220650 0.00463536
28.0185820 -0.13675848
13.5175220 -0.48384896
6.3094060 0.13404429
2.9045340 1.30770146
1.2875560 0.66509300
0.1677320 0.77399467
Ge S
0.3365520 1.0000000
Ge S
0.0710690 1.0000000
Ge P
6979.5982000 0.00045689
1654.1648000 0.00395615
536.0286500 0.02131436
203.5371300 0.08187628
85.2375300 0.22240500
37.8419620 0.39067982
17.4065120 0.35608076
7.8814920 0.10592478
3.5332130 0.00113089
Ge P
6979.5982000 0.00000118
536.0286500 -0.00006994
203.5371300 -0.00121937
85.2375300 -0.00725963
37.8419620 -0.02487722
17.4065120 -0.00920431
7.8814920 0.23155412
3.5332130 0.53687029
1.5214730 0.40442235
Ge P
6979.5982000 0.00000054
203.5371300 -0.00022785
85.2375300 -0.00116713
37.8419620 -0.00466973
17.4065120 -0.00106762
7.8814920 0.03555017
3.5332130 0.08661539
1.5214730 0.02986223
0.1990930 0.75798364
Ge P
0.5627040 1.0000000
Ge P
0.0670310 1.0000000
Ge D
282.2391100 0.0018275
84.5499570 0.0151545
32.0736560 0.0660460
13.4974950 0.1839470
5.9585500 0.3227872
2.6107880 0.3729459
1.1039870 0.2751730
Ge D
0.4240490 1.0000000
Ge D
0.1520000 1.0000000
Ge F
0.3458000 1.0000000
end
basis "As_cc-pVTZ(seg-opt)" SPHERICAL
As S
8482339.6000000 0.00000680
1270150.9000000 0.00005280
289056.9600000 0.00027740
81879.8490000 0.00117020
26716.5640000 0.00424225
9647.5842000 0.01365671
3764.1195000 0.03934896
1561.5656000 0.09998182
680.8146700 0.21243188
309.2411900 0.33739562
145.2573600 0.31780963
69.7390480 0.11854144
31.7703250 -0.00115394
15.3917570 -0.01222325
7.3415260 -0.00383488
As S
8482339.6000000 0.00000002
1270150.9000000 -0.00000002
26716.5640000 -0.00000665
9647.5842000 -0.00004641
3764.1195000 -0.00041659
1561.5656000 -0.00242107
680.8146700 -0.01271823
309.2411900 -0.04643580
145.2573600 -0.10571369
69.7390480 -0.01886969
31.7703250 0.42145361
15.3917570 0.57684599
7.3415260 0.16956125
3.3237160 0.00359968
As S
8482339.6000000 -0.00000002
1270150.9000000 -0.00000003
289056.9600000 -0.00000004
9647.5842000 -0.00000096
3764.1195000 -0.00000087
1561.5656000 -0.00001384
680.8146700 0.00001883
309.2411900 0.00035257
145.2573600 0.00274213
69.7390480 0.00305011
31.7703250 -0.06019926
15.3917570 -0.25564275
7.3415260 0.01980290
3.3237160 0.71569363
1.4858670 0.52422834
As S
8482339.6000000 0.00000003
1270150.9000000 -0.00000004
289056.9600000 -0.00000001
3764.1195000 -0.00000139
1561.5656000 -0.00001035
680.8146700 -0.00007234
309.2411900 -0.00036923
145.2573600 -0.00131600
69.7390480 -0.00103221
31.7703250 0.01961043
15.3917570 0.07807420
7.3415260 -0.00507557
3.3237160 -0.26618958
1.4858670 -0.42218649
0.2115000 0.82286594
As S
0.4210860 1.0000000
As S
0.0889740 1.0000000
As P
7423.8614000 0.00045989
1759.5166000 0.00398225
570.2291600 0.02146386
216.5799700 0.08246663
90.7342520 0.22392290
40.3087910 0.39218752
18.5555020 0.35425572
8.3965430 0.10371914
3.7673670 0.00077918
As P
7423.8614000 0.00000125
570.2291600 -0.00007059
216.5799700 -0.00126010
90.7342520 -0.00747796
40.3087910 -0.02568253
18.5555020 -0.00763838
8.3965430 0.24066580
3.7673670 0.54498893
1.6297010 0.39094641
As P
7423.8614000 -0.00000014
216.5799700 0.00004686
90.7342520 0.00025544
40.3087910 0.00111677
18.5555020 -0.00020831
8.3965430 -0.01529409
3.7673670 -0.04295202
1.6297010 -0.05210428
0.2225030 0.76045650
As P
0.5682630 1.0000000
As P
0.0804050 1.0000000
As D
321.0196100 0.0016840
96.2493050 0.0141586
36.6449630 0.0628259
15.4939650 0.1784993
6.8911380 0.3209452
3.0548310 0.3773515
1.3142410 0.2750231
As D
0.5134300 1.0000000
As D
0.1877000 1.0000000
As F
0.4158000 1.0000000
end
basis "Se_cc-pVTZ(seg-opt)" SPHERICAL
Se S
9563600.0000000 0.00000630
1432100.0000000 0.00004890
325910.0000000 0.00025740
92312.0000000 0.00108610
30116.0000000 0.00393979
10872.0000000 0.01270337
4240.1000000 0.03670892
1758.4000000 0.09382879
766.5900000 0.20156259
348.4300000 0.32729445
164.0300000 0.32200298
79.1420000 0.13458083
35.5240000 0.01864601
17.3050000 0.01015135
8.3784000 0.00369398
Se S
9563600.0000000 -0.00000003
1432100.0000000 0.00000001
325910.0000000 -0.00000002
30116.0000000 -0.00000633
10872.0000000 -0.00004072
4240.1000000 -0.00037344
1758.4000000 -0.00214873
766.5900000 -0.01147899
348.4300000 -0.04251374
164.0300000 -0.10245491
79.1420000 -0.03653750
35.5240000 0.38829415
17.3050000 0.58691452
8.3784000 0.19742004
3.7405000 0.00826106
Se S
9563600.0000000 0.00000001
1432100.0000000 -0.00000002
10872.0000000 -0.00000303
4240.1000000 -0.00002261
1758.4000000 -0.00016671
766.5900000 -0.00078872
348.4300000 -0.00283705
164.0300000 -0.00481791
79.1420000 0.00072573
35.5240000 -0.02308023
17.3050000 -0.20946856
8.3784000 -0.00568971
3.7405000 0.70703055
1.6890000 0.55976280
Se S
9563600.0000000 0.00000004
1432100.0000000 -0.00000006
325910.0000000 -0.00000004
4240.1000000 0.00000009
1758.4000000 -0.00000396
766.5900000 -0.00002024
348.4300000 -0.00012587
164.0300000 -0.00038601
79.1420000 -0.00046110
35.5240000 0.00563927
17.3050000 0.02600202
8.3784000 0.00376199
3.7405000 -0.12768051
1.6890000 -0.34464332
0.2552000 0.84212156
Se S
0.5092700 1.0000000
Se S
0.1065100 1.0000000
Se P
8004.3000000 0.00045049
1896.9000000 0.00390485
614.7100000 0.02109016
233.5000000 0.08129679
97.8560000 0.22181651
43.5140000 0.39084321
20.0630000 0.35600728
9.1127000 0.10620681
4.1063000 0.00114655
Se P
8004.3000000 0.00000115
614.7100000 -0.00007294
233.5000000 -0.00125757
97.8560000 -0.00756684
43.5140000 -0.02603015
20.0630000 -0.00862412
9.1127000 0.24008483
4.1063000 0.54864451
1.7949000 0.38835284
Se P
8004.3000000 -0.00000043
233.5000000 0.00021183
97.8560000 0.00110364
43.5140000 0.00463024
20.0630000 0.00020335
9.1127000 -0.04543565
4.1063000 -0.12139271
1.7949000 -0.09666532
0.2461500 0.75033619
Se P
0.6243200 1.0000000
Se P
0.0889170 1.0000000
Se D
361.8500000 0.0015655
108.5500000 0.0133262
41.4330000 0.0601527
17.5790000 0.1740293
7.8627000 0.3195690
3.5180000 0.3812029
1.5348000 0.2746086
Se D
0.6081300 1.0000000
Se D
0.2220000 1.0000000
Se F
0.4620000 1.0000000
end
basis "Br_cc-pVTZ(seg-opt)" SPHERICAL
Br S
10639000.0000000 0.00000590
1593400.0000000 0.00004610
362610.0000000 0.00024220
102700.0000000 0.00102260
33501.0000000 0.00371114
12093.0000000 0.01197752
4715.9000000 0.03468366
1955.6000000 0.08907219
852.6100000 0.19317644
387.6700000 0.31985383
182.6800000 0.32728824
88.2450000 0.14810895
39.2630000 0.02454580
19.2340000 0.01479702
9.4057000 0.00631708
Br S
10639000.0000000 -0.00000005
1593400.0000000 -0.00000003
362610.0000000 -0.00000007
33501.0000000 -0.00000590
12093.0000000 -0.00003667
4715.9000000 -0.00034043
1955.6000000 -0.00195092
852.6100000 -0.01054246
387.6700000 -0.03957580
182.6800000 -0.09950236
88.2450000 -0.04919614
39.2630000 0.36053462
19.2340000 0.59217869
9.4057000 0.22178153
4.1601000 0.01266713
Br S
10639000.0000000 -0.00000006
1593400.0000000 -0.00000007
362610.0000000 0.00000006
12093.0000000 -0.00000365
4715.9000000 -0.00002348
1955.6000000 -0.00017889
852.6100000 -0.00083654
387.6700000 -0.00315189
182.6800000 -0.00583710
88.2450000 -0.00053066
39.2630000 -0.01452266
19.2340000 -0.19749527
9.4057000 -0.03233373
4.1601000 0.69515763
1.8995000 0.58634865
Br S
10639000.0000000 0.00000002
1593400.0000000 -0.00000006
362610.0000000 -0.00000002
4715.9000000 -0.00000225
1955.6000000 -0.00001550
852.6100000 -0.00009734
387.6700000 -0.00042732
182.6800000 -0.00135694
88.2450000 -0.00127446
39.2630000 0.01243515
19.2340000 0.05566674
9.4057000 0.01534391
4.1601000 -0.20074989
1.8995000 -0.42740586
0.3011400 0.86201145
Br S
0.6047200 1.0000000
Br S
0.1251500 1.0000000
Br P
8676.5000000 0.00043569
2055.9000000 0.00378145
666.2300000 0.02047825
253.1000000 0.07928788
106.1200000 0.21787877
47.2420000 0.38797206
21.8250000 0.35947991
9.9684000 0.11112870
4.5171000 0.00188585
Br P
8676.5000000 0.00000107
666.2300000 -0.00007535
253.1000000 -0.00123317
106.1200000 -0.00757393
47.2420000 -0.02613767
21.8250000 -0.01088274
9.9684000 0.23461081
4.5171000 0.55035624
1.9982000 0.39215936
Br P
8676.5000000 -0.00000058
253.1000000 0.00027989
106.1200000 0.00147894
47.2420000 0.00623968
21.8250000 0.00085353
9.9684000 -0.05797561
4.5171000 -0.15922769
1.9982000 -0.11898101
0.2814500 0.74578140
Br P
0.7098800 1.0000000
Br P
0.1020400 1.0000000
Br D
403.8300000 0.0014732
121.1700000 0.0126725
46.3450000 0.0580451
19.7210000 0.1705103
8.8624000 0.3185958
3.9962000 0.3845023
1.7636000 0.2737737
Br D
0.7061900 1.0000000
Br D
0.2639000 1.0000000
Br F
0.5515000 1.0000000
end
basis "Kr_cc-pVTZ(seg-opt)" SPHERICAL
Kr S
11718113.0000000 0.00000560
1754604.4000000 0.00004380
399281.3200000 0.00023050
113084.5700000 0.00097330
36885.9250000 0.00353353
13312.2090000 0.01141569
5189.9883000 0.03312322
2151.6597000 0.08539349
938.0325100 0.18662470
426.5573200 0.31388400
201.0666000 0.33149949
97.0976050 0.15917405
42.9987240 0.02770660
21.1770750 0.01603284
10.4267520 0.00776073
Kr S
11718113.0000000 -0.00000004
1754604.4000000 -0.00000002
399281.3200000 -0.00000006
36885.9250000 -0.00000564
13312.2090000 -0.00003413
5189.9883000 -0.00031630
2151.6597000 -0.00180889
938.0325100 -0.00984555
426.5573200 -0.03738963
201.0666000 -0.09702607
97.0976050 -0.05842615
42.9987240 0.33749687
21.1770750 0.59450348
10.4267520 0.24272147
4.5850080 0.01669544
Kr S
11718113.0000000 -0.00000003
1754604.4000000 -0.00000004
399281.3200000 0.00000008
13312.2090000 -0.00000455
5189.9883000 -0.00003180
2151.6597000 -0.00023408
938.0325100 -0.00113587
426.5573200 -0.00439992
201.0666000 -0.00930396
97.0976050 -0.00329561
42.9987240 0.00080459
21.1770750 -0.17106401
10.4267520 -0.04616362
4.5850080 0.68590529
2.1176030 0.60868959
Kr S
11718113.0000000 0.00000003
1754604.4000000 -0.00000006
399281.3200000 -0.00000001
5189.9883000 0.00000253
2151.6597000 0.00001584
938.0325100 0.00009174
426.5573200 0.00030496
201.0666000 0.00057276
97.0976050 -0.00027796
42.9987240 0.00457871
21.1770750 0.04159687
10.4267520 0.01678524
4.5850080 -0.19636462
2.1176030 -0.44405111
0.3492250 0.87819746
Kr S
0.7070570 1.0000000
Kr S
0.1448210 1.0000000
Kr P
9366.3090000 0.00042309
2219.5543000 0.00367424
719.4528800 0.01993124
273.4644600 0.07742638
114.7522500 0.21406906
51.1555690 0.38496619
23.6826760 0.36268713
10.8754840 0.11606199
4.9551310 0.00267795
Kr P
9366.3090000 0.00000102
719.4528800 -0.00007760
273.4644600 -0.00121053
114.7522500 -0.00757495
51.1555690 -0.02622578
23.6826760 -0.01308509
10.8754840 0.22917328
4.9551310 0.55180439
2.2172670 0.39629549
Kr P
9366.3090000 -0.00000064
273.4644600 0.00030767
114.7522500 0.00164165
51.1555690 0.00700281
23.6826760 0.00148459
10.8754840 -0.06281498
4.9551310 -0.17880706
2.2172670 -0.13053072
0.3221540 0.74352850
Kr P
0.8064100 1.0000000
Kr P
0.1176190 1.0000000
Kr D
446.1613300 0.0014044
133.9647700 0.0121715
51.3459070 0.0563919
21.9169060 0.1676430
9.8937250 0.3177368
4.4925270 0.3872647
2.0022930 0.2728006
Kr D
0.8084090 1.0000000
Kr D
0.3006000 1.0000000
Kr F
0.6622000 1.0000000
end
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