/usr/share/nwchem/libraries/cc-pvdzseg-opt is in nwchem-data 6.6+r27746-2.
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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-pVDZ(seg-opt)" SPHERICAL
H S
13.0100000 0.0196850
1.9620000 0.1379770
0.4446000 0.4781480
H S
0.1220000 1.0000000
H P
0.7270000 1.0000000
end
basis "He_cc-pVDZ(seg-opt)" SPHERICAL
He S
38.3600000 0.0238090
5.7700000 0.1548910
1.2400000 0.4699870
He S
0.2976000 1.0000000
He P
1.2750000 1.0000000
end
basis "Li_cc-pVDZ(seg-opt)" SPHERICAL
Li S
1469.0000000 0.00076598
220.5000000 0.00589186
50.2600000 0.02967101
14.2400000 0.10918727
4.5810000 0.28286031
1.5800000 0.45353575
0.5640000 0.27634597
Li S
1469.0000000 0.00000105
220.5000000 0.00000813
14.2400000 -0.00042795
4.5810000 -0.00421198
1.5800000 -0.02440057
0.5640000 -0.09295661
0.0734500 0.57664295
Li S
0.0280500 1.0000000
Li P
1.5340000 0.0227840
0.2749000 0.1391070
0.0736200 0.5003750
Li P
0.0240300 1.0000000
Li D
0.1239000 1.0000000
end
basis "Be_cc-pVDZ(seg-opt)" SPHERICAL
Be S
2940.0000000 0.00067999
441.2000000 0.00523636
100.5000000 0.02660600
28.4300000 0.10002032
9.1690000 0.26980370
3.1960000 0.45238388
1.1590000 0.29695962
Be S
2940.0000000 0.00000047
441.2000000 -0.00001527
28.4300000 -0.00115771
9.1690000 -0.00430870
3.1960000 -0.03874725
1.1590000 -0.07985675
0.1811000 0.53305239
Be S
0.0589000 1.0000000
Be P
3.6190000 0.0291110
0.7110000 0.1693650
0.1951000 0.5134580
Be P
0.0601800 1.0000000
Be D
0.2380000 1.0000000
end
basis "B_cc-pVDZ(seg-opt)" SPHERICAL
B S
4570.0000000 0.00069598
685.9000000 0.00535361
156.5000000 0.02713401
44.4700000 0.10142163
14.4800000 0.27219150
5.1310000 0.44969078
1.8980000 0.29205783
B S
4570.0000000 0.00000064
685.9000000 -0.00002301
44.4700000 -0.00157574
14.4800000 -0.00516754
5.1310000 -0.04876714
1.8980000 -0.07327347
0.3329000 0.54239928
B S
0.1043000 1.0000000
B P
6.0010000 0.0354810
1.2410000 0.1980720
0.3364000 0.5052300
B P
0.0953800 1.0000000
B D
0.3430000 1.0000000
end
basis "C_cc-pVDZ(seg-opt)" SPHERICAL
C S
6665.0000000 0.00069199
1000.0000000 0.00532976
228.0000000 0.02707700
64.7100000 0.10176813
21.0600000 0.27490285
7.4950000 0.45009459
2.7970000 0.28693345
C S
6665.0000000 0.00000031
1000.0000000 -0.00002727
64.7100000 -0.00180535
21.0600000 -0.00586561
7.4950000 -0.05513931
2.7970000 -0.06698766
0.5215000 0.54774376
C S
0.1596000 1.0000000
C P
9.4390000 0.0381090
2.0020000 0.2094800
0.5456000 0.5085570
C P
0.1517000 1.0000000
C D
0.5500000 1.0000000
end
basis "N_cc-pVDZ(seg-opt)" SPHERICAL
N S
9046.0000000 0.00070000
1357.0000000 0.00538983
309.3000000 0.02740600
87.7300000 0.10326232
28.5600000 0.27890524
10.2100000 0.45021740
3.8380000 0.27994300
N S
9046.0000000 0.00000005
1357.0000000 -0.00002976
87.7300000 -0.00197900
28.5600000 -0.00651949
10.2100000 -0.06001000
3.8380000 -0.06099753
0.7466000 0.55237875
N S
0.2248000 1.0000000
N P
13.5500000 0.0399190
2.9170000 0.2171690
0.7973000 0.5103190
N P
0.2185000 1.0000000
N D
0.8170000 1.0000000
end
basis "O_cc-pVDZ(seg-opt)" SPHERICAL
O S
11720.0000000 0.00071000
1759.0000000 0.00547087
400.8000000 0.02783700
113.7000000 0.10485851
37.0300000 0.28326043
13.2700000 0.45049379
5.0250000 0.27249427
O S
11720.0000000 -0.00000016
1759.0000000 -0.00003153
113.7000000 -0.00212216
37.0300000 -0.00719768
13.2700000 -0.06438999
5.0250000 -0.05595503
1.0130000 0.56084812
O S
0.3023000 1.0000000
O P
17.7000000 0.0430180
3.8540000 0.2289130
1.0460000 0.5087280
O P
0.2753000 1.0000000
O D
1.1850000 1.0000000
end
basis "F_cc-pVDZ(seg-opt)" SPHERICAL
F S
14710.0000000 0.00072098
2207.0000000 0.00555387
502.8000000 0.02826701
142.6000000 0.10650448
46.4700000 0.28702491
16.7000000 0.45047375
6.3560000 0.26615515
F S
14710.0000000 0.00000067
2207.0000000 -0.00003207
142.6000000 -0.00223302
46.4700000 -0.00778782
16.7000000 -0.06769033
6.3560000 -0.05149203
1.3160000 0.56633730
F S
0.3897000 1.0000000
F P
22.6700000 0.0448780
4.9770000 0.2357180
1.3470000 0.5085210
F P
0.3471000 1.0000000
F D
1.6400000 1.0000000
end
basis "Ne_cc-pVDZ(seg-opt)" SPHERICAL
Ne S
17880.0000000 0.00073800
2683.0000000 0.00567787
611.5000000 0.02888300
173.5000000 0.10860195
56.6400000 0.29112758
20.4200000 0.45018937
7.8100000 0.25926297
Ne S
17880.0000000 0.00000014
2683.0000000 -0.00003283
173.5000000 -0.00234589
56.6400000 -0.00835354
20.4200000 -0.07065480
7.8100000 -0.04685308
1.6530000 0.57056347
Ne S
0.4869000 1.0000000
Ne P
28.3900000 0.0460870
6.2700000 0.2401810
1.6950000 0.5087440
Ne P
0.4317000 1.0000000
Ne D
2.2020000 1.0000000
end
basis "Na_cc-pVDZ(seg-opt)" SPHERICAL
Na S
31700.0000000 0.00045886
4755.0000000 0.00355054
1082.0000000 0.01826123
306.4000000 0.07166500
99.5300000 0.21236896
35.4200000 0.41637322
13.3000000 0.37354636
4.3920000 0.06196505
1.6760000 -0.00943107
Na S
31700.0000000 0.00000401
4755.0000000 0.00003039
1082.0000000 0.00010976
99.5300000 -0.00431975
35.4200000 -0.03224947
13.3000000 -0.09941812
4.3920000 0.10163905
1.6760000 0.60242177
0.5889000 0.44446527
Na S
31700.0000000 0.00000040
4755.0000000 0.00000199
1082.0000000 0.00001631
35.4200000 -0.00164950
13.3000000 -0.00262151
4.3920000 -0.00068742
1.6760000 0.02117447
0.5889000 -0.10839521
0.0564000 0.65862100
Na S
0.0230700 1.0000000
Na P
138.1000000 0.00579641
32.2400000 0.04157380
9.9850000 0.16288148
3.4840000 0.35938759
1.2310000 0.45011908
0.4177000 0.22739592
Na P
32.2400000 0.00009806
9.9850000 -0.00045329
3.4840000 0.00073049
1.2310000 -0.00705157
0.4177000 0.00598898
0.0651300 0.43542385
Na P
0.0205300 1.0000000
Na D
0.0973000 1.0000000
end
basis "Mg_cc-pVDZ(seg-opt)" SPHERICAL
Mg S
47390.0000000 0.00034602
7108.0000000 0.00268076
1618.0000000 0.01383669
458.4000000 0.05517670
149.3000000 0.16966211
53.5900000 0.36471419
20.7000000 0.40690721
8.3840000 0.13508866
2.5420000 0.00460359
Mg S
47390.0000000 0.00000136
7108.0000000 0.00001591
1618.0000000 0.00000860
149.3000000 -0.00396460
53.5900000 -0.02091373
20.7000000 -0.09582575
8.3840000 0.00071991
2.5420000 0.57187043
0.8787000 0.54712861
Mg S
47390.0000000 0.00000012
7108.0000000 0.00000059
1618.0000000 0.00000489
53.5900000 -0.00051306
20.7000000 -0.00084679
8.3840000 -0.00108560
2.5420000 -0.00425157
0.8787000 -0.13285717
0.1077000 0.61081639
Mg S
0.0399900 1.0000000
Mg P
179.9000000 0.00538161
42.1400000 0.03923976
13.1300000 0.15745580
4.6280000 0.35852671
1.6700000 0.45740862
0.5857000 0.21562138
Mg P
42.1400000 0.00015457
13.1300000 -0.00081763
4.6280000 0.00062671
1.6700000 -0.01381894
0.5857000 0.02244408
0.1311000 0.50315482
Mg P
0.0411200 1.0000000
Mg D
0.1870000 1.0000000
end
basis "Al_cc-pVDZ(seg-opt)" SPHERICAL
Al S
64150.0000000 0.00029025
9617.0000000 0.00225066
2189.0000000 0.01164587
620.5000000 0.04673770
202.7000000 0.14629212
73.1500000 0.33025030
28.5500000 0.41568734
11.7700000 0.18918637
3.3000000 0.01269347
Al S
64150.0000000 0.00000065
9617.0000000 0.00001105
2189.0000000 -0.00001350
202.7000000 -0.00344141
73.1500000 -0.01636923
28.5500000 -0.08678011
11.7700000 -0.03317135
3.3000000 0.54511699
1.1730000 0.58609598
Al S
64150.0000000 0.00000001
9617.0000000 0.00000008
2189.0000000 0.00000056
73.1500000 -0.00003832
28.5500000 0.00030889
11.7700000 0.00048521
3.3000000 -0.02221607
1.1730000 -0.16566842
0.1752000 0.62741926
Al S
0.0647300 1.0000000
Al P
258.8000000 0.00406847
60.8900000 0.03067404
19.1400000 0.12918137
6.8810000 0.32079955
2.5740000 0.45442483
0.9572000 0.27406349
Al P
60.8900000 0.00018332
19.1400000 -0.00079100
6.8810000 0.00077609
2.5740000 -0.01493448
0.9572000 0.02456886
0.2099000 0.46752817
Al P
0.0598600 1.0000000
Al D
0.1890000 1.0000000
end
basis "Si_cc-pVDZ(seg-opt)" SPHERICAL
Si S
78860.0000000 0.00027044
11820.0000000 0.00209720
2692.0000000 0.01085056
763.4000000 0.04367540
249.6000000 0.13764321
90.2800000 0.31659682
35.2900000 0.41832281
14.5100000 0.21006896
4.0530000 0.01616802
Si S
78860.0000000 0.00000056
11820.0000000 0.00001000
2692.0000000 -0.00001413
249.6000000 -0.00319895
90.2800000 -0.01530378
35.2900000 -0.08381315
14.5100000 -0.04587236
4.0530000 0.53318276
1.4820000 0.60280876
Si S
78860.0000000 -0.00000006
11820.0000000 -0.00000029
2692.0000000 -0.00000254
90.2800000 0.00032392
35.2900000 0.00142240
14.5100000 0.00252692
4.0530000 -0.03943393
1.4820000 -0.19097057
0.2517000 0.63176312
Si S
0.0924300 1.0000000
Si P
315.9000000 0.00392656
74.4200000 0.02987274
23.4800000 0.12724929
8.4880000 0.32091744
3.2170000 0.45615915
1.2290000 0.26714434
Si P
74.4200000 0.00022839
23.4800000 -0.00101838
8.4880000 0.00069854
3.2170000 -0.01994133
1.2290000 0.03874677
0.2964000 0.51438489
Si P
0.0876800 1.0000000
Si D
0.2750000 1.0000000
end
basis "P_cc-pVDZ(seg-opt)" SPHERICAL
P S
94840.0000000 0.00025551
14220.0000000 0.00198197
3236.0000000 0.01027596
917.1000000 0.04148230
299.5000000 0.13197268
108.1000000 0.30860572
42.1800000 0.42033552
17.2800000 0.22267116
4.8580000 0.01843560
P S
94840.0000000 0.00000052
14220.0000000 0.00000935
3236.0000000 -0.00001322
299.5000000 -0.00302699
108.1000000 -0.01485967
42.1800000 -0.08253968
17.2800000 -0.05388369
4.8580000 0.52627550
1.8180000 0.61345974
P S
94840.0000000 -0.00000012
14220.0000000 -0.00000056
3236.0000000 -0.00000490
108.1000000 0.00061387
42.1800000 0.00239469
17.2800000 0.00453365
4.8580000 -0.05428846
1.8180000 -0.21062296
0.3372000 0.63413384
P S
0.1232000 1.0000000
P P
370.5000000 0.00395005
87.3300000 0.03024177
27.5900000 0.12959237
10.0000000 0.32759326
3.8250000 0.45773868
1.4940000 0.25145405
P P
87.3300000 0.00023855
27.5900000 -0.00123157
10.0000000 0.00002444
3.8250000 -0.02397044
1.4940000 0.05239213
0.3921000 0.54190377
P P
0.1186000 1.0000000
P D
0.3730000 1.0000000
end
basis "S_cc-pVDZ(seg-opt)" SPHERICAL
S S
110800.0000000 0.00024764
16610.0000000 0.00192030
3781.0000000 0.00996188
1071.0000000 0.04029750
349.8000000 0.12859135
126.3000000 0.30341538
49.2600000 0.42107356
20.1600000 0.23051703
5.7200000 0.02023894
S S
110800.0000000 0.00000053
16610.0000000 0.00000917
3781.0000000 -0.00001144
349.8000000 -0.00293236
126.3000000 -0.01471929
49.2600000 -0.08213319
20.1600000 -0.05924688
5.7200000 0.52240927
2.1820000 0.62040624
S S
110800.0000000 -0.00000017
16610.0000000 -0.00000080
3781.0000000 -0.00000698
126.3000000 0.00087289
49.2600000 0.00328668
20.1600000 0.00647190
5.7200000 -0.06792558
2.1820000 -0.22766568
0.4327000 0.64363158
S S
0.1570000 1.0000000
S P
399.7000000 0.00447541
94.1900000 0.03416683
29.7500000 0.14427929
10.7700000 0.35395563
4.1190000 0.45960531
1.6250000 0.20486597
S P
94.1900000 0.00021940
29.7500000 -0.00161895
10.7700000 -0.00152794
4.1190000 -0.02874440
1.6250000 0.08379943
0.4726000 0.56422629
S P
0.1407000 1.0000000
S D
0.4790000 1.0000000
end
basis "Cl_cc-pVDZ(seg-opt)" SPHERICAL
Cl S
127900.0000000 0.00024116
19170.0000000 0.00187099
4363.0000000 0.00970823
1236.0000000 0.03931530
403.6000000 0.12591826
145.7000000 0.29926922
56.8100000 0.42148672
23.2300000 0.23688413
6.6440000 0.02176385
Cl S
127900.0000000 0.00000054
19170.0000000 0.00000901
4363.0000000 -0.00001034
403.6000000 -0.00286515
145.7000000 -0.01463289
56.8100000 -0.08196701
23.2300000 -0.06355507
6.6440000 0.52006699
2.5750000 0.62550094
Cl S
127900.0000000 -0.00000021
19170.0000000 -0.00000099
4363.0000000 -0.00000863
145.7000000 0.00108429
56.8100000 0.00403895
23.2300000 0.00820950
6.6440000 -0.07954097
2.5750000 -0.24098999
0.5371000 0.65003640
Cl S
0.1938000 1.0000000
Cl P
417.6000000 0.00525982
98.3300000 0.03983290
31.0400000 0.16466142
11.1900000 0.38733851
4.2490000 0.45716117
1.6240000 0.15122618
Cl P
98.3300000 0.00009312
31.0400000 -0.00206391
11.1900000 -0.00530809
4.2490000 -0.02851440
1.6240000 0.13085086
0.5322000 0.57993967
Cl P
0.1620000 1.0000000
Cl D
0.6000000 1.0000000
end
basis "Ar_cc-pVDZ(seg-opt)" SPHERICAL
Ar S
145700.0000000 0.00023670
21840.0000000 0.00183528
4972.0000000 0.00952855
1408.0000000 0.03862825
459.7000000 0.12406631
165.9000000 0.29639339
64.6900000 0.42163810
26.4400000 0.24135250
7.6280000 0.02285443
Ar S
145700.0000000 0.00000055
21840.0000000 0.00000895
4972.0000000 -0.00000931
459.7000000 -0.00282479
165.9000000 -0.01464980
64.6900000 -0.08212342
26.4400000 -0.06681687
7.6280000 0.51910850
2.9960000 0.62903561
Ar S
145700.0000000 -0.00000024
21840.0000000 -0.00000115
4972.0000000 -0.00001008
165.9000000 0.00127271
64.6900000 0.00471408
26.4400000 0.00980568
7.6280000 -0.09015393
2.9960000 -0.25267721
0.6504000 0.65773344
Ar S
0.2337000 1.0000000
Ar P
453.7000000 0.00570555
106.8000000 0.04304562
33.7300000 0.17657304
12.1300000 0.40679296
4.5940000 0.45236414
1.6780000 0.12415454
Ar P
106.8000000 -0.00005065
33.7300000 -0.00235499
12.1300000 -0.00917385
4.5940000 -0.02419174
1.6780000 0.17700289
0.5909000 0.58324515
Ar P
0.1852000 1.0000000
Ar D
0.7380000 1.0000000
end
basis "Ga_cc-pVDZ(seg-opt)" SPHERICAL
Ga S
485130.0000000 0.00020678
72719.0000000 0.00160440
16552.0000000 0.00834026
4687.8000000 0.03402480
1529.1000000 0.11125962
551.8100000 0.27591307
215.1800000 0.42421289
88.1740000 0.27709753
27.1540000 0.01065905
11.5030000 -0.02908265
Ga S
485130.0000000 0.00000063
72719.0000000 0.00000846
16552.0000000 -0.00000214
1529.1000000 -0.00250458
551.8100000 -0.01446341
215.1800000 -0.08213158
88.1740000 -0.08896260
27.1540000 0.48992532
11.5030000 0.62520622
3.3018000 0.07954616
Ga S
485130.0000000 -0.00000025
72719.0000000 -0.00000130
16552.0000000 -0.00001128
551.8100000 0.00151327
215.1800000 0.00612946
88.1740000 0.01552180
27.1540000 -0.12608435
11.5030000 -0.30592978
3.3018000 0.60996232
1.3314000 0.67498910
Ga S
485130.0000000 -0.00000003
72719.0000000 -0.00000004
215.1800000 0.00004741
88.1740000 0.00020043
27.1540000 -0.00287514
11.5030000 -0.01056532
3.3018000 0.00573728
1.3314000 -0.14367133
0.1931600 0.63347727
Ga S
0.0708950 1.0000000
Ga P
3248.6000000 0.00152600
769.9700000 0.01274869
248.2000000 0.06337882
93.3640000 0.20661229
38.2510000 0.40944916
16.4220000 0.39197582
6.7918000 0.10123109
2.8336000 -0.00437080
Ga P
769.9700000 -0.00001672
248.2000000 -0.00076320
93.3640000 -0.00578496
38.2510000 -0.02522388
16.4220000 -0.00974159
6.7918000 0.28326138
2.8336000 0.60085232
1.1062000 0.34761176
Ga P
248.2000000 0.00060265
93.3640000 0.00425151
38.2510000 0.02006996
16.4220000 0.00573110
6.7918000 -0.22050780
2.8336000 -0.49022880
1.1062000 -0.26103982
0.2225000 0.43877138
Ga P
0.0617720 1.0000000
Ga D
65.3370000 0.0273825
18.4970000 0.1510805
6.3150000 0.3749217
2.1635000 0.4750799
0.6667500 0.2982750
Ga D
0.1884000 1.0000000
end
basis "Ge_cc-pVDZ(seg-opt)" SPHERICAL
Ge S
521800.0000000 0.00020448
78214.0000000 0.00158649
17803.0000000 0.00824804
5041.9000000 0.03366490
1644.5000000 0.11021530
593.4300000 0.27409028
231.3600000 0.42407512
94.7620000 0.28003820
29.2740000 0.01122808
12.4500000 -0.03010472
Ge S
521800.0000000 0.00000064
78214.0000000 0.00000839
17803.0000000 -0.00000139
1644.5000000 -0.00245922
593.4300000 -0.01435354
231.3600000 -0.08161457
94.7620000 -0.09081304
29.2740000 0.48479993
12.4500000 0.62813023
3.6463000 0.08329049
Ge S
521800.0000000 -0.00000020
78214.0000000 -0.00000120
17803.0000000 -0.00001054
593.4300000 0.00142308
231.3600000 0.00586057
94.7620000 0.01518867
29.2740000 -0.12303736
12.4500000 -0.30938948
3.6463000 0.58986188
1.5025000 0.69880759
Ge S
78214.0000000 0.00000004
17803.0000000 -0.00000002
231.3600000 0.00003864
94.7620000 0.00015367
29.2740000 -0.00202101
12.4500000 -0.00680687
3.6463000 -0.00590719
1.5025000 -0.17404895
0.2450300 0.65845280
Ge S
0.0915940 1.0000000
Ge P
3568.1000000 0.00145910
845.7200000 0.01221771
272.7400000 0.06105335
102.6800000 0.20083798
42.1480000 0.40404301
18.1490000 0.39708099
7.5934000 0.10894125
3.1964000 -0.00352202
Ge P
845.7200000 -0.00002119
272.7400000 -0.00073067
102.6800000 -0.00577069
42.1480000 -0.02495387
18.1490000 -0.01346059
7.5934000 0.27017540
3.1964000 0.60133374
1.2743000 0.35897601
Ge P
272.7400000 0.00057773
102.6800000 0.00417362
42.1480000 0.01995972
18.1490000 0.00816184
7.5934000 -0.21026563
3.1964000 -0.49752649
1.2743000 -0.26794826
0.2825800 0.49290233
Ge P
0.0840900 1.0000000
Ge D
74.7620000 0.0257684
21.3020000 0.1454421
7.3436000 0.3713721
2.5651000 0.4800002
0.8197000 0.2896800
Ge D
0.2470000 1.0000000
end
basis "As_cc-pVDZ(seg-opt)" SPHERICAL
As S
559583.7900000 0.00020238
83879.3300000 0.00157059
19092.6680000 0.00816621
5407.3925000 0.03333990
1763.7559000 0.10926362
636.4567200 0.27242387
248.0884300 0.42391339
101.5785100 0.28272958
31.4755130 0.01179125
13.4372820 -0.03108336
As S
559583.7900000 0.00000058
83879.3300000 0.00000831
19092.6680000 -0.00000058
1763.7559000 -0.00241827
636.4567200 -0.01425654
248.0884300 -0.08114462
101.5785100 -0.09251029
31.4755130 0.47988082
13.4372820 0.63084716
4.0086900 0.08691776
As S
559583.7900000 -0.00000029
83879.3300000 -0.00000110
19092.6680000 -0.00000994
636.4567200 0.00134844
248.0884300 0.00564174
101.5785100 0.01493688
31.4755130 -0.12061760
13.4372820 -0.31326128
4.0086900 0.57263060
1.6849290 0.72048570
As S
559583.7900000 -0.00000004
83879.3300000 -0.00000003
19092.6680000 -0.00000003
248.0884300 0.00002843
101.5785100 0.00008725
31.4755130 -0.00088630
13.4372820 -0.00173240
4.0086900 -0.01919330
1.6849290 -0.20388461
0.3000190 0.67269177
As S
0.1135870 1.0000000
As P
3886.3564000 0.00140970
921.2020100 0.01182783
297.1931900 0.05933225
111.9750800 0.19654567
46.0346210 0.39993798
19.8741940 0.40055899
8.3860880 0.11485915
3.5587280 -0.00291995
As P
921.2020100 -0.00002443
297.1931900 -0.00071193
111.9750800 -0.00578481
46.0346210 -0.02491912
19.8741940 -0.01607503
8.3860880 0.26198036
3.5587280 0.60175036
1.4472820 0.36486889
As P
297.1931900 0.00054703
111.9750800 0.00401614
46.0346210 0.01943080
19.8741940 0.00956198
8.3860880 -0.19816200
3.5587280 -0.48996142
1.4472820 -0.26335171
0.3477790 0.52492249
As P
0.1076990 1.0000000
As D
84.4242340 0.0245288
24.1815890 0.1411340
8.4017770 0.3687579
2.9805020 0.4840626
0.9790030 0.2824434
As D
0.3098000 1.0000000
end
basis "Se_cc-pVDZ(seg-opt)" SPHERICAL
Se S
598990.0000000 0.00020037
89783.0000000 0.00155508
20435.0000000 0.00808718
5786.9000000 0.03303440
1887.3000000 0.10838396
680.9700000 0.27088317
265.3900000 0.42373702
108.6300000 0.28523483
33.7600000 0.01234750
14.4650000 -0.03202156
Se S
598990.0000000 0.00000065
89783.0000000 0.00000824
20435.0000000 0.00000010
1887.3000000 -0.00237986
680.9700000 -0.01416822
265.3900000 -0.08070694
108.6300000 -0.09409034
33.7600000 0.47515340
14.4650000 0.63340054
4.3890000 0.09040949
Se S
598990.0000000 -0.00000024
89783.0000000 -0.00000108
20435.0000000 -0.00000941
680.9700000 0.00128505
265.3900000 0.00545363
108.6300000 0.01474207
33.7600000 -0.11863438
14.4650000 -0.31735988
4.3890000 0.55772291
1.8783000 0.74033257
Se S
598990.0000000 0.00000001
89783.0000000 -0.00000002
265.3900000 0.00001166
108.6300000 0.00000172
33.7600000 0.00048028
14.4650000 0.00446112
4.3890000 -0.03369898
1.8783000 -0.23490751
0.3585900 0.69118740
Se S
0.1364900 1.0000000
Se P
4135.6000000 0.00141270
980.3400000 0.01185894
316.3500000 0.05952014
119.2500000 0.19725865
49.0680000 0.40091317
21.2120000 0.39957073
8.9462000 0.11356740
3.8236000 -0.00376863
Se P
980.3400000 -0.00002473
316.3500000 -0.00074008
119.2500000 -0.00596293
49.0680000 -0.02584544
21.2120000 -0.01523673
8.9462000 0.27114595
3.8236000 0.60591026
1.5883000 0.35300864
Se P
316.3500000 0.00066314
119.2500000 0.00483330
49.0680000 0.02349502
21.2120000 0.01032230
8.9462000 -0.23899971
3.8236000 -0.57716508
1.5883000 -0.28897075
0.4096900 0.54697633
Se P
0.1245900 1.0000000
Se D
94.4720000 0.0234982
27.1800000 0.1375183
9.5068000 0.3664824
3.4168000 0.4874717
1.1479000 0.2765769
Se D
0.3682000 1.0000000
end
basis "Br_cc-pVDZ(seg-opt)" SPHERICAL
Br S
640100.0000000 0.00019838
95938.0000000 0.00153968
21833.0000000 0.00800956
6181.9000000 0.03273410
2015.7000000 0.10753988
727.1000000 0.26944869
283.2800000 0.42359789
115.9100000 0.28757354
36.1240000 0.01290473
15.5320000 -0.03287222
Br S
640100.0000000 0.00000060
95938.0000000 0.00000819
21833.0000000 0.00000072
2015.7000000 -0.00234367
727.1000000 -0.01408378
283.2800000 -0.08030992
115.9100000 -0.09555533
36.1240000 0.47068230
15.5320000 0.63574307
4.7857000 0.09376397
Br S
640100.0000000 -0.00000022
95938.0000000 -0.00000096
21833.0000000 -0.00000900
727.1000000 0.00123299
283.2800000 0.00530903
115.9100000 0.01461534
36.1240000 -0.11713863
15.5320000 -0.32168324
4.7857000 0.54502469
2.0817000 0.75840621
Br S
95938.0000000 -0.00000003
21833.0000000 -0.00000006
283.2800000 -0.00000997
115.9100000 -0.00009772
36.1240000 0.00198148
15.5320000 0.01134409
4.7857000 -0.04834310
2.0817000 -0.26509864
0.4202800 0.70365692
Br S
0.1606900 1.0000000
Br P
4340.8000000 0.00144480
1028.9000000 0.01212894
332.0200000 0.06081376
125.1600000 0.20098299
51.5110000 0.40495197
22.2810000 0.39580374
9.3417000 0.10798737
4.0132000 -0.00565351
Br P
1028.9000000 -0.00002157
332.0200000 -0.00078808
125.1600000 -0.00621423
51.5110000 -0.02728571
22.2810000 -0.01201363
9.3417000 0.29121253
4.0132000 0.61192666
1.7002000 0.32831407
Br P
332.0200000 0.00086954
125.1600000 0.00629949
51.5110000 0.03045731
22.2810000 0.00961498
9.3417000 -0.31709716
4.0132000 -0.71591644
1.7002000 -0.32266662
0.4719400 0.56602889
Br P
0.1442100 1.0000000
Br D
104.8300000 0.0226583
30.2720000 0.1345895
10.6490000 0.3647181
3.8696000 0.4904196
1.3239000 0.2713885
Br D
0.4098000 1.0000000
end
basis "Kr_cc-pVDZ(seg-opt)" SPHERICAL
Kr S
681358.8200000 0.00019688
102126.4800000 0.00152827
23243.7100000 0.00794993
6582.0073000 0.03249380
2146.4286000 0.10681631
774.3378200 0.26813129
301.6702000 0.42338438
123.4118400 0.28969263
38.5675510 0.01343437
16.6373790 -0.03369592
Kr S
681358.8200000 0.00000059
102126.4800000 0.00000812
23243.7100000 0.00000132
2146.4286000 -0.00231296
774.3378200 -0.01401239
301.6702000 -0.07994955
123.4118400 -0.09689230
38.5675510 0.46647562
16.6373790 0.63790941
5.1987950 0.09693623
Kr S
681358.8200000 -0.00000023
102126.4800000 -0.00000095
23243.7100000 -0.00000861
774.3378200 0.00118966
301.6702000 0.00518589
123.4118400 0.01452750
38.5675510 -0.11596363
16.6373790 -0.32609463
5.1987950 0.53427929
2.2948140 0.77502879
Kr S
681358.8200000 0.00000002
102126.4800000 -0.00000003
23243.7100000 0.00000002
301.6702000 -0.00003001
123.4118400 -0.00021239
38.5675510 0.00364803
16.6373790 0.01904864
5.1987950 -0.06358285
2.2948140 -0.29560171
0.4852110 0.71240018
Kr S
0.1862700 1.0000000
Kr P
4474.2699000 0.00151950
1060.5790000 0.01274252
342.2081200 0.06365503
128.9984200 0.20862721
53.0872220 0.41253020
22.9594250 0.38785604
9.5073000 0.09719970
4.0830550 -0.00862026
Kr P
1060.5790000 -0.00001522
342.2081200 -0.00087267
128.9984200 -0.00658322
53.0872220 -0.02939488
22.9594250 -0.00512749
9.5073000 0.32579160
4.0830550 0.61912339
1.7504460 0.28455267
Kr P
342.2081200 0.00138163
128.9984200 0.00986861
53.0872220 0.04695191
22.9594250 0.00442687
9.5073000 -0.51338526
4.0830550 -1.03003074
1.7504460 -0.39341922
0.5291900 0.58486778
Kr P
0.1643690 1.0000000
Kr D
115.5253200 0.0219557
33.4652460 0.1321620
11.8304590 0.3633484
4.3397710 0.4929582
1.5075240 0.2667560
Kr D
0.5030000 1.0000000
end
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