/usr/share/nwchem/libraries/sdb-aug-cc-pvtz is in nwchem-data 6.3+r1-1build1.
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# Elements References
# -------- ----------
# Ga - Kr: J.M.L. Martin and A. Sundermann, J. Chem. Phys. 114, 3408 (2001).
# In - Xe:
#
# Elements References
# -------- ---------
# Ga - Kr: J.M.L. Martin and A. Sundermann, J. Chem. Phys. 114, 3408 (2001).
# In - Xe:
#
basis "Ga_SDB-aug-cc-pVTZ" 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
0.4934650 0.0809420
0.0442640 0.1400920
Ga S
0.2128450 1.0000000
Ga S
0.0976160 1.0000000
Ga S
0.0287480 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
0.3257830 0.1817710
0.0274030 0.1471610
Ga P
0.1428090 1.0000000
Ga P
0.0628660 1.0000000
Ga P
0.0146100 1.0000000
Ga D
0.3158480 1.0000000
Ga D
0.1115430 1.0000000
Ga D
0.0349270 1.0000000
Ga F
0.2838330 1.0000000
Ga F
0.0969550 1.0000000
end
basis "Ge_SDB-aug-cc-pVTZ" 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
0.5804130 -0.0220740
0.0612490 0.1710640
Ge S
0.3085610 1.0000000
Ge S
0.1385560 1.0000000
Ge S
0.0427720 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
0.4381410 0.1875780
0.0394470 0.1315550
Ge P
0.2001130 1.0000000
Ge P
0.0899340 1.0000000
Ge P
0.0258390 1.0000000
Ge D
0.4040690 1.0000000
Ge D
0.1474090 1.0000000
Ge D
0.0509290 1.0000000
Ge F
0.3534250 1.0000000
Ge F
0.1330530 1.0000000
end
basis "As_SDB-aug-cc-pVTZ" 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
0.2578990 0.5387640
0.0624670 0.0794250
As S
0.5075100 1.0000000
As S
0.1284130 1.0000000
As S
0.0538310 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
0.2455840 0.4434070
0.0505590 0.1110690
As P
0.5249080 1.0000000
As P
0.1131620 1.0000000
As P
0.0370980 1.0000000
As D
0.4015240 1.0000000
As D
0.1716520 1.0000000
As D
0.0626400 1.0000000
As F
0.4315080 1.0000000
As F
0.1582380 1.0000000
end
basis "Se_SDB-aug-cc-pVTZ" 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
0.3134160 0.5510190
0.0751520 0.0818210
Se S
0.6044890 1.0000000
Se S
0.1564510 1.0000000
Se S
0.0664920 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
0.2546820 0.4379090
0.0539470 0.0868900
Se P
0.5326430 1.0000000
Se P
0.1191950 1.0000000
Se P
0.0415830 1.0000000
Se D
0.4754120 1.0000000
Se D
0.2077760 1.0000000
Se D
0.0776480 1.0000000
Se F
0.4817040 1.0000000
Se F
0.1915460 1.0000000
end
basis "Br_SDB-aug-cc-pVTZ" 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
0.3988620 0.5908340
0.0901270 0.0897840
Br S
0.9528400 1.0000000
Br S
0.1919290 1.0000000
Br S
0.0808210 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
0.3131070 0.4482900
0.0641740 0.0906150
Br P
0.1442090 1.0000000
Br P
0.6656170 1.0000000
Br P
0.0510520 1.0000000
Br D
0.6013860 1.0000000
Br D
0.2523660 1.0000000
Br D
0.0967350 1.0000000
Br F
0.5812580 1.0000000
Br F
0.2592890 1.0000000
end
basis "In_SDB-aug-cc-pVTZ" 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
0.5397780 -0.0474790
0.0408800 0.1725080
In S
0.2006590 1.0000000
In S
0.0910510 1.0000000
In S
0.0259950 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
0.4261390 0.0661640
0.0281940 0.2193230
In P
0.1658410 1.0000000
In P
0.0683640 1.0000000
In P
0.0149830 1.0000000
In D
0.6271790 -0.1550755
0.2358160 0.7292935
In D
0.0886660 1.0000000
In D
0.0295360 1.0000000
In F
0.2390940 1.0000000
In F
0.0826760 1.0000000
end
basis "Sn_SDB-aug-cc-pVTZ" 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
0.3849200 0.2148350
0.0444900 0.0956740
Sn S
0.1866400 1.0000000
Sn S
0.0920920 1.0000000
Sn S
0.0347710 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
0.5507720 0.0285410
0.0396340 0.2073430
Sn P
0.2244350 1.0000000
Sn P
0.0951810 1.0000000
Sn P
0.0252210 1.0000000
Sn D
0.2699130 1.0000000
Sn D
0.1140290 1.0000000
Sn D
0.0418500 1.0000000
Sn F
0.2846360 1.0000000
Sn F
0.1074800 1.0000000
end
basis "Sb_SDB-aug-cc-pVTZ" 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
0.0598450 0.1430470
Sb S
0.2706150 1.0000000
Sb S
0.1285220 1.0000000
Sb S
0.0428380 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
0.6098900 0.0253020
0.0500490 0.1852460
Sb P
0.2681730 1.0000000
Sb P
0.1174810 1.0000000
Sb P
0.0322940 1.0000000
Sb D
0.2902980 1.0000000
Sb D
0.1427360 1.0000000
Sb D
0.0530050 1.0000000
Sb F
0.3351440 1.0000000
Sb F
0.1260310 1.0000000
end
basis "Te_SDB-aug-cc-pVTZ" 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
0.3022750 0.5650470
0.0680180 0.1275080
Te S
0.6333530 1.0000000
Te S
0.1455260 1.0000000
Te S
0.0545640 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
0.1981350 0.4699770
0.0443650 0.0829350
Te P
0.4038890 1.0000000
Te P
0.0951630 1.0000000
Te P
0.0362710 1.0000000
Te D
0.9647710 -0.1793582
0.3941280 0.5744324
Te D
0.1610090 1.0000000
Te D
0.0662560 1.0000000
Te F
0.3609320 1.0000000
Te F
0.1481570 1.0000000
end
basis "I_SDB-aug-cc-pVTZ" 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
0.3405190 0.5919630
0.0775970 0.1220050
I S
0.6858370 1.0000000
I S
0.1656200 1.0000000
I S
0.0657390 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
0.2183660 0.4617230
0.0496780 0.0744090
I P
0.4373980 1.0000000
I P
0.1059870 1.0000000
I P
0.0418350 1.0000000
I D
1.0796940 -0.1205572
0.4488510 0.5583476
I D
0.1865970 1.0000000
I D
0.0738310 1.0000000
I F
0.4293190 1.0000000
I F
0.1939730 1.0000000
end
ASSOCIATED_ECP "stuttgart_rlc_ecp"
# ELEMENTS REFERENCES
# --------- ----------
#
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