/usr/share/nwchem/libraries/sdb-cc-pvqz is in nwchem-data 6.6+r27746-2.
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# Elements References
# -------- ----------
# Ga - Kr: J.M.L. Martin and A. Sundermann, J. Chem. Phys. 114, 3408 (2001).
# In - Xe:
#
basis "Ga_SDB-cc-pVQZ" SPHERICAL
Ga S
183.6812990 0.0000460
101.6371440 -0.0002650
56.2393070 0.0009720
31.1191320 -0.0033350
17.2192800 0.0135370
9.5280160 -0.0602290
5.2721770 0.1745210
2.9172760 -0.1409590
1.6142290 -0.1325860
0.8932080 -0.1725520
0.2128450 0.4708480
Ga S
0.4934650 1.0000000
Ga S
0.0442640 1.0000000
Ga S
0.0976160 1.0000000
Ga P
16.3427320 0.0006170
9.0348110 -0.0063630
4.9947470 0.0317160
2.7612640 -0.0473460
1.5265190 -0.0485180
0.8439110 -0.0000290
0.1428090 0.3992510
Ga P
0.3257830 1.0000000
Ga P
0.0274030 1.0000000
Ga P
0.0628660 1.0000000
Ga D
0.4333420 1.0000000
Ga D
0.1885190 1.0000000
Ga D
0.0820120 1.0000000
Ga F
0.4912310 1.0000000
Ga F
0.1774170 1.0000000
Ga G
0.3969130 1.0000000
end
basis "Ge_SDB-cc-pVQZ" SPHERICAL
Ge S
592.2227540 -0.0000190
299.5004840 0.0001000
151.4641900 -0.0003130
76.5988780 0.0008530
38.7377900 -0.0024180
19.5905800 0.0087550
9.9074010 -0.0432530
5.0103970 0.1713900
2.5338720 -0.2158420
1.2814360 -0.2356390
0.3085610 0.4601100
Ge S
0.5804130 1.0000000
Ge S
0.0612490 1.0000000
Ge S
0.1385560 1.0000000
Ge P
39.8392630 -0.0000910
19.8113590 0.0007200
9.8518380 -0.0055920
4.8991440 0.0369160
2.4362580 -0.0945060
1.2115080 -0.0406190
0.2001130 0.4233010
Ge P
0.4381410 1.0000000
Ge P
0.0394470 1.0000000
Ge P
0.0899340 1.0000000
Ge D
0.5165310 1.0000000
Ge D
0.2347290 1.0000000
Ge D
0.1066690 1.0000000
Ge F
0.5726360 1.0000000
Ge F
0.2202010 1.0000000
Ge G
0.4633960 1.0000000
end
basis "As_SDB-cc-pVQZ" SPHERICAL
As S
496.0746690 0.0000290
251.7883940 -0.0000020
127.7980900 0.0000320
64.8653880 0.0002310
32.9231720 -0.0004030
16.7105340 0.0027270
8.4816230 -0.0190750
4.3049450 0.1361090
2.1850240 -0.2911950
1.1090340 -0.2076360
0.1284130 0.4033810
As S
0.2578990 1.0000000
As S
0.0624670 1.0000000
As S
0.5075100 1.0000000
As P
41.4842770 -0.0000540
20.4337600 0.0004690
10.0649830 -0.0040960
4.9576720 0.0352440
2.4419830 -0.1155690
1.2028380 -0.0371340
0.1131620 0.3909370
As P
0.2455840 1.0000000
As P
0.0505590 1.0000000
As P
0.5249080 1.0000000
As D
1.3218810 1.0000000
As D
0.4872570 1.0000000
As D
0.1796070 1.0000000
As F
0.6876290 1.0000000
As F
0.2723920 1.0000000
As G
0.5534560 1.0000000
end
basis "Se_SDB-cc-pVQZ" SPHERICAL
Se S
522.2066270 0.0000120
268.1260450 0.0000290
137.6688310 -0.0000860
70.6858120 0.0004230
36.2935020 -0.0011160
18.6348330 0.0049530
9.5680210 -0.0318050
4.9126830 0.1821030
2.5224080 -0.3325320
1.2951260 -0.2403320
0.0751520 0.0818210
Se S
0.3134160 1.0000000
Se S
0.6044890 1.0000000
Se S
0.1564510 1.0000000
Se P
38.7220300 0.0001650
18.8022560 0.0001260
9.1298120 -0.0001570
4.4331630 0.0173710
2.1526110 -0.1135640
1.0452430 0.0166320
0.0539470 0.0868900
Se P
0.2546820 1.0000000
Se P
0.5326430 1.0000000
Se P
0.1191950 1.0000000
Se D
1.5318250 1.0000000
Se D
0.5677030 1.0000000
Se D
0.2103940 1.0000000
Se F
0.7744320 1.0000000
Se F
0.2975330 1.0000000
Se G
0.5828320 1.0000000
end
basis "Br_SDB-cc-pVQZ" SPHERICAL
Br S
762.0066790 0.0000520
376.6365900 -0.0000230
186.1599440 0.0001490
92.0131660 0.0001420
45.4792930 0.0001820
22.4790230 0.0014490
11.1106930 -0.0118330
5.4916760 0.1119000
2.7143670 -0.2561560
1.3416290 -0.4007910
0.0901270 0.0897840
Br S
0.3988620 1.0000000
Br S
0.9528400 1.0000000
Br S
0.1919290 1.0000000
Br P
77.0646890 0.0000120
33.1900760 0.0001780
14.2942400 -0.0008620
6.1562170 0.0165350
2.6513480 -0.1173210
1.1418780 -0.0129850
0.0641740 0.0906150
Br P
0.3131070 1.0000000
Br P
0.1442090 1.0000000
Br P
0.6656170 1.0000000
Br D
0.6420240 1.0000000
Br D
0.3557380 1.0000000
Br D
0.1971100 1.0000000
Br F
0.9173490 1.0000000
Br F
0.3599340 1.0000000
Br G
0.6655780 1.0000000
end
basis "Kr_SDB-cc-pVQZ" SPHERICAL
Kr S
442.8931540 0.0001200
239.2602730 -0.0001660
129.2534720 0.0004420
69.8254670 -0.0003420
37.7211980 0.0009320
20.3777910 -0.0000170
11.0085150 -0.0162340
5.9470330 0.1429740
3.2127130 -0.2390570
1.7355760 -0.3468200
0.1024490 0.0837230
Kr S
0.4453280 1.0000000
Kr S
0.9199970 1.0000000
Kr S
0.2168650 1.0000000
Kr P
23.8489560 0.0005090
12.8722890 -0.0022670
6.9477180 0.0220690
3.7499770 -0.0677550
2.0240210 -0.0929880
1.0924500 0.1288200
0.0645370 0.0510250
Kr P
0.2780400 1.0000000
Kr P
0.5570170 1.0000000
Kr P
0.1363200 1.0000000
Kr D
0.7204390 1.0000000
Kr D
0.4117370 1.0000000
Kr D
0.2353110 1.0000000
Kr F
1.0822760 1.0000000
Kr F
0.4428600 1.0000000
Kr G
0.7668820 1.0000000
end
basis "In_SDB-cc-pVQZ" SPHERICAL
In S
260.4103720 0.0000290
140.3828170 -0.0000600
75.6779970 0.0001780
40.7967250 -0.0002890
21.9928230 0.0008310
11.8559580 -0.0019540
6.3913460 0.0082930
3.4454660 -0.0518320
1.8573920 0.2843780
1.0012890 -0.5640840
0.2006590 0.4696610
In S
0.5397780 1.0000000
In S
0.0408800 1.0000000
In S
0.0910510 1.0000000
In P
48.6768460 0.0000410
22.0983850 -0.0002010
10.0322570 0.0008460
4.5544590 -0.0048970
2.0676400 0.0400620
0.9386700 -0.1697800
0.1658410 0.3708640
In P
0.4261390 1.0000000
In P
0.0281940 1.0000000
In P
0.0683640 1.0000000
In D
0.6271790 1.0000000
In D
0.2358160 1.0000000
In D
0.0886660 1.0000000
In F
0.3952170 1.0000000
In F
0.1467980 1.0000000
In G
0.3239900 1.0000000
end
basis "Sn_SDB-cc-pVQZ" SPHERICAL
Sn S
38.4899420 0.0001220
24.2856410 -0.0006380
15.3232850 0.0025740
9.6683900 -0.0108040
6.1003740 0.0552060
3.8490960 -0.2612420
2.4286290 0.7008960
1.5323690 -0.6044690
0.9668650 -0.2359100
0.6100540 -0.1507990
0.1866400 0.5652490
Sn S
0.3849200 1.0000000
Sn S
0.0444900 1.0000000
Sn S
0.0920920 1.0000000
Sn P
60.2212000 0.0000420
27.5393180 -0.0002100
12.5938050 0.0009210
5.7591810 -0.0056980
2.6336890 0.0451000
1.2043930 -0.1728060
0.2244350 0.3889450
Sn P
0.5507720 1.0000000
Sn P
0.0396340 1.0000000
Sn P
0.0951810 1.0000000
Sn D
0.2938450 1.0000000
Sn D
0.1610550 1.0000000
Sn D
0.0882730 1.0000000
Sn F
0.4556300 1.0000000
Sn F
0.1767360 1.0000000
Sn G
0.3591600 1.0000000
end
basis "Sb_SDB-cc-pVQZ" SPHERICAL
Sb S
134.4073070 -0.0000050
78.1665010 0.0001560
45.4588520 -0.0006210
26.4372480 0.0020130
15.3749620 -0.0061710
8.9415300 0.0238200
5.2000750 -0.1121760
3.0241780 0.3682080
1.7587540 -0.3713390
1.0228290 -0.3157270
0.5948410 0.0000160
Sb S
0.0598450 1.0000000
Sb S
0.2706150 1.0000000
Sb S
0.1285220 1.0000000
Sb P
53.7217630 0.0000530
25.4683320 -0.0002790
12.0739880 0.0012910
5.7240180 -0.0084230
2.7136340 0.0629900
1.2864750 -0.2177580
0.2681730 0.4242890
Sb P
0.6098900 1.0000000
Sb P
0.0500490 1.0000000
Sb P
0.1174810 1.0000000
Sb D
0.8023570 1.0000000
Sb D
0.3301090 1.0000000
Sb D
0.1358150 1.0000000
Sb F
0.5423170 1.0000000
Sb F
0.2149260 1.0000000
Sb G
0.4148900 1.0000000
end
basis "Te_SDB-cc-pVQZ" SPHERICAL
Te S
356.2703560 0.0000780
200.2259260 -0.0001580
112.5280860 0.0004070
63.2414120 -0.0005760
35.5420260 0.0013890
19.9748170 -0.0026460
11.2259580 0.0089500
6.3090510 -0.0437500
3.5457220 0.1842070
1.9927150 -0.1940200
1.1199170 -0.3627430
0.0680180 0.1275080
Te S
0.3022750 1.0000000
Te S
0.6333530 1.0000000
Te S
0.1455260 1.0000000
Te P
30.8220740 0.0001610
17.3592880 -0.0011280
9.7769170 0.0062950
5.5064540 -0.0359990
3.1012880 0.1493110
1.7466750 -0.2489380
0.9837440 -0.0648310
0.0443650 0.0829350
Te P
0.1981350 1.0000000
Te P
0.4038890 1.0000000
Te P
0.0951630 1.0000000
Te D
0.9647710 1.0000000
Te D
0.3941280 1.0000000
Te D
0.1610090 1.0000000
Te F
0.5924370 1.0000000
Te F
0.2287610 1.0000000
Te G
0.4281190 1.0000000
end
basis "I_SDB-cc-pVQZ" SPHERICAL
I S
208.3634160 0.0000170
117.8734120 0.0000430
66.6822490 -0.0002200
37.7228610 0.0008860
21.3402260 -0.0029400
12.0723940 0.0131530
6.8294820 -0.0737860
3.8635110 0.2725530
2.1856300 -0.2496550
1.2364340 -0.4287590
0.0775970 0.1220050
I S
0.3405190 1.0000000
I S
0.6858370 1.0000000
I S
0.1656200 1.0000000
I P
9.5386090 0.0019140
5.9554680 -0.0213810
3.7183190 0.0942320
2.3215470 -0.0995310
1.4494670 -0.1457100
0.9049800 -0.0001730
0.0496780 0.0744090
I P
0.2183660 1.0000000
I P
0.4373980 1.0000000
I P
0.1059870 1.0000000
I D
1.0796940 1.0000000
I D
0.4488510 1.0000000
I D
0.1865970 1.0000000
I F
0.7012160 1.0000000
I F
0.2728500 1.0000000
I G
0.4798740 1.0000000
end
basis "Xe_SDB-cc-pVQZ" SPHERICAL
Xe S
226.2482130 -0.0000230
127.7239880 0.0001710
72.1040700 -0.0006030
40.7049380 0.0018320
22.9791740 -0.0058310
12.9724410 0.0243180
7.3233370 -0.1199020
4.1342460 0.3889070
2.3339080 -0.3587420
1.3175620 -0.4510790
0.0856590 0.1069240
Xe S
0.3632860 1.0000000
Xe S
0.6610530 1.0000000
Xe S
0.1802750 1.0000000
Xe P
10.5866780 0.0013770
6.4624630 -0.0151590
3.9449040 0.0789220
2.4081020 -0.1049280
1.4699860 -0.1513750
0.8973290 0.0393470
0.0547600 0.0611170
Xe P
0.2325120 1.0000000
Xe P
0.4590930 1.0000000
Xe P
0.1148580 1.0000000
Xe D
1.2968940 1.0000000
Xe D
0.5318460 1.0000000
Xe D
0.2181060 1.0000000
Xe F
0.8011440 1.0000000
Xe F
0.3255640 1.0000000
Xe G
0.5450000 1.0000000
end
ASSOCIATED_ECP "stuttgart_rlc_ecp"
# ELEMENTS REFERENCES
# --------- ----------
#
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