/usr/share/nwchem/libraries/cc-pcvdz is in nwchem-data 6.6+r27746-2.
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The actual contents of the file can be viewed below.
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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).
# Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005),
# N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 125, 074110 (2006)
# Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
#
# Elements References
# -------- ----------
# H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
# Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and
# T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).
# Al - Ar: K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 117, 10548 (2002)
# Ca : K.A. Peterson (to be published)
#
basis "Li_cc-pCVDZ" SPHERICAL
Li S
1469.0000000 0.0007660 -0.0001200
220.5000000 0.0058920 -0.0009230
50.2600000 0.0296710 -0.0046890
14.2400000 0.1091800 -0.0176820
4.5810000 0.2827890 -0.0489020
1.5800000 0.4531230 -0.0960090
0.5640000 0.2747740 -0.1363800
0.0734500 0.0097510 0.5751020
Li S
0.0280500 1.0000000
Li S
0.9060000 1.0000000
Li P
1.5340000 0.0227840
0.2749000 0.1391070
0.0736200 0.5003750
Li P
0.0240300 1.0000000
Li P
3.2420000 1.0000000
Li D
0.1239000 1.0000000
end
basis "Be_cc-pCVDZ" SPHERICAL
Be S
2940.0000000 0.0006800 -0.0001230
441.2000000 0.0052360 -0.0009660
100.5000000 0.0266060 -0.0048310
28.4300000 0.0999930 -0.0193140
9.1690000 0.2697020 -0.0532800
3.1960000 0.4514690 -0.1207230
1.1590000 0.2950740 -0.1334350
0.1811000 0.0125870 0.5307670
Be S
0.0589000 1.0000000
Be S
1.8600000 1.0000000
Be P
3.6190000 0.0291110
0.7110000 0.1693650
0.1951000 0.5134580
Be P
0.0601800 1.0000000
Be P
6.1630000 1.0000000
Be D
0.2380000 1.0000000
end
basis "B_cc-pCVDZ" SPHERICAL
B S
4570.0000000 0.0006960 -0.0001390
685.9000000 0.0053530 -0.0010970
156.5000000 0.0271340 -0.0054440
44.4700000 0.1013800 -0.0219160
14.4800000 0.2720550 -0.0597510
5.1310000 0.4484030 -0.1387320
1.8980000 0.2901230 -0.1314820
0.3329000 0.0143220 0.5395260
B S
0.1043000 1.0000000
B S
3.0660000 1.0000000
B P
6.0010000 0.0354810
1.2410000 0.1980720
0.3364000 0.5052300
B P
0.0953800 1.0000000
B P
9.9400000 1.0000000
B D
0.3430000 1.0000000
end
basis "C_cc-pCVDZ" SPHERICAL
C S
6665.0000000 0.0006920 -0.0001460
1000.0000000 0.0053290 -0.0011540
228.0000000 0.0270770 -0.0057250
64.7100000 0.1017180 -0.0233120
21.0600000 0.2747400 -0.0639550
7.4950000 0.4485640 -0.1499810
2.7970000 0.2850740 -0.1272620
0.5215000 0.0152040 0.5445290
C S
0.1596000 1.0000000
C S
4.5300000 1.0000000
C P
9.4390000 0.0381090
2.0020000 0.2094800
0.5456000 0.5085570
C P
0.1517000 1.0000000
C P
14.5570000 1.0000000
C D
0.5500000 1.0000000
end
basis "N_cc-pCVDZ" SPHERICAL
N S
9046.0000000 0.0007000 -0.0001530
1357.0000000 0.0053890 -0.0012080
309.3000000 0.0274060 -0.0059920
87.7300000 0.1032070 -0.0245440
28.5600000 0.2787230 -0.0674590
10.2100000 0.4485400 -0.1580780
3.8380000 0.2782380 -0.1218310
0.7466000 0.0154400 0.5490030
N S
0.2248000 1.0000000
N S
6.2330000 1.0000000
N P
13.5500000 0.0399190
2.9170000 0.2171690
0.7973000 0.5103190
N P
0.2185000 1.0000000
N P
19.9770000 1.0000000
N D
0.8170000 1.0000000
end
basis "O_cc-pCVDZ" SPHERICAL
O S
11720.0000000 0.0007100 -0.0001600
1759.0000000 0.0054700 -0.0012630
400.8000000 0.0278370 -0.0062670
113.7000000 0.1048000 -0.0257160
37.0300000 0.2830620 -0.0709240
13.2700000 0.4487190 -0.1654110
5.0250000 0.2709520 -0.1169550
1.0130000 0.0154580 0.5573680
O S
0.3023000 1.0000000
O S
8.2150000 1.0000000
O P
17.7000000 0.0430180
3.8540000 0.2289130
1.0460000 0.5087280
O P
0.2753000 1.0000000
O P
26.0560000 1.0000000
O D
1.1850000 1.0000000
end
basis "F_cc-pCVDZ" SPHERICAL
F S
14710.0000000 0.0007210 -0.0001650
2207.0000000 0.0055530 -0.0013080
502.8000000 0.0282670 -0.0064950
142.6000000 0.1064440 -0.0266910
46.4700000 0.2868140 -0.0736900
16.7000000 0.4486410 -0.1707760
6.3560000 0.2647610 -0.1123270
1.3160000 0.0153330 0.5628140
F S
0.3897000 1.0000000
F S
10.4260000 1.0000000
F P
22.6700000 0.0448780
4.9770000 0.2357180
1.3470000 0.5085210
F P
0.3471000 1.0000000
F P
32.8300000 1.0000000
F D
1.6400000 1.0000000
end
basis "Ne_cc-pCVDZ" SPHERICAL
Ne S
17880.0000000 0.0007380 -0.0001720
2683.0000000 0.0056770 -0.0013570
611.5000000 0.0288830 -0.0067370
173.5000000 0.1085400 -0.0276630
56.6400000 0.2909070 -0.0762080
20.4200000 0.4483240 -0.1752270
7.8100000 0.2580260 -0.1070380
1.6530000 0.0150630 0.5670500
Ne S
0.4869000 1.0000000
Ne S
12.8540000 1.0000000
Ne P
28.3900000 0.0460870
6.2700000 0.2401810
1.6950000 0.5087440
Ne P
0.4317000 1.0000000
Ne P
40.1840000 1.0000000
Ne D
2.2020000 1.0000000
end
basis "Na_cc-pCVDZ" SPHERICAL
Na S
31700.0000000 0.458878D-03 -0.112162D-03 0.170160D-04
4755.0000000 0.355070D-02 -0.868512D-03 0.130693D-03
1082.0000000 0.182618D-01 -0.451330D-02 0.687784D-03
306.4000000 0.716650D-01 -0.181436D-01 0.272359D-02
99.5300000 0.212346D+00 -0.580799D-01 0.895529D-02
35.4200000 0.416203D+00 -0.137653D+00 0.207832D-01
13.3000000 0.373020D+00 -0.193908D+00 0.319380D-01
4.3920000 0.625054D-01 0.858009D-01 -0.191368D-01
1.6760000 -0.624532D-02 0.604419D+00 -0.102595D+00
0.5889000 0.243374D-02 0.441719D+00 -0.198945D+00
0.0564000 -0.442381D-03 0.130547D-01 0.655952D+00
Na S
0.0230700 1.0000000
Na S
0.7040000 1.0000000
Na P
138.1000000 0.579641D-02 -0.581531D-03
32.2400000 0.415756D-01 -0.407306D-02
9.9850000 0.162873D+00 -0.167937D-01
3.4840000 0.359401D+00 -0.353268D-01
1.2310000 0.449988D+00 -0.521971D-01
0.4177000 0.227507D+00 -0.168359D-01
0.0651300 0.808247D-02 0.434613D+00
Na P
0.0205300 1.0000000
Na P
0.7610000 1.0000000
Na D
0.0973000 1.0000000
Na D
2.9490000 1.0000000
end
basis "Mg_cc-pCVDZ" SPHERICAL
Mg S
47390.0000000 0.346023D-03 -0.877839D-04 0.169628D-04
7108.0000000 0.268077D-02 -0.674725D-03 0.129865D-03
1618.0000000 0.138367D-01 -0.355603D-02 0.688831D-03
458.4000000 0.551767D-01 -0.142154D-01 0.273533D-02
149.3000000 0.169660D+00 -0.476748D-01 0.931224D-02
53.5900000 0.364703D+00 -0.114892D+00 0.223265D-01
20.7000000 0.406856D+00 -0.200676D+00 0.411195D-01
8.3840000 0.135089D+00 -0.341224D-01 0.545642D-02
2.5420000 0.490884D-02 0.570454D+00 -0.134012D+00
0.8787000 0.286460D-03 0.542309D+00 -0.256176D+00
0.1077000 0.264590D-04 0.218128D-01 0.605856D+00
Mg S
0.0399900 1.0000000
Mg S
3.4220000 1.0000000
Mg P
179.9000000 0.538161D-02 -0.865948D-03
42.1400000 0.392418D-01 -0.615978D-02
13.1300000 0.157445D+00 -0.261519D-01
4.6280000 0.358535D+00 -0.570647D-01
1.6700000 0.457226D+00 -0.873906D-01
0.5857000 0.215918D+00 -0.122990D-01
0.1311000 0.664948D-02 0.502085D+00
Mg P
0.0411200 1.0000000
Mg P
8.2790000 1.0000000
Mg D
0.1870000 1.0000000
Mg D
3.7040000 1.0000000
end
basis "Al_cc-pCVDZ" SPHERICAL
Al S
64150.0000000 0.290250D-03 -0.758048D-04 0.175078D-04
9617.0000000 0.225064D-02 -0.581791D-03 0.134208D-03
2189.0000000 0.116459D-01 -0.308113D-02 0.712442D-03
620.5000000 0.467377D-01 -0.123112D-01 0.284330D-02
202.7000000 0.146299D+00 -0.419781D-01 0.976842D-02
73.1500000 0.330283D+00 -0.103371D+00 0.241850D-01
28.5500000 0.415861D+00 -0.196308D+00 0.474993D-01
11.7700000 0.189253D+00 -0.830002D-01 0.203621D-01
3.3000000 0.115889D-01 0.541040D+00 -0.158788D+00
1.1730000 -0.128385D-02 0.578796D+00 -0.311694D+00
0.1752000 0.425883D-03 0.288147D-01 0.620147D+00
Al S
0.0647300 1.0000000
Al S
4.0300000 1.0000000
Al P
258.8000000 0.406847D-02 -0.748053D-03
60.8900000 0.306815D-01 -0.545796D-02
19.1400000 0.129149D+00 -0.245371D-01
6.8810000 0.320831D+00 -0.582138D-01
2.5740000 0.453815D+00 -0.983756D-01
0.9572000 0.275066D+00 -0.260064D-01
0.2099000 0.190807D-01 0.464020D+00
Al P
0.0598600 1.0000000
Al P
1.5290000 1.0000000
Al D
0.1890000 1.0000000
Al D
4.7250000 1.0000000
end
basis "Si_cc-pCVDZ" SPHERICAL
Si S
78860.0000000 0.270443D-03 -0.723177D-04 0.185113D-04
11820.0000000 0.209717D-02 -0.555116D-03 0.142236D-03
2692.0000000 0.108506D-01 -0.293805D-02 0.752185D-03
763.4000000 0.436754D-01 -0.117687D-01 0.302279D-02
249.6000000 0.137653D+00 -0.402907D-01 0.103677D-01
90.2800000 0.316644D+00 -0.100609D+00 0.262563D-01
35.2900000 0.418581D+00 -0.196528D+00 0.523989D-01
14.5100000 0.210212D+00 -0.102382D+00 0.290959D-01
4.0530000 0.144952D-01 0.527190D+00 -0.178003D+00
1.4820000 -0.203590D-02 0.593251D+00 -0.346874D+00
0.2517000 0.624186D-03 0.332652D-01 0.623020D+00
Si S
0.0924300 1.0000000
Si S
4.9590000 1.0000000
Si P
315.9000000 0.392656D-02 -0.858302D-03
74.4200000 0.298811D-01 -0.630328D-02
23.4800000 0.127212D+00 -0.288255D-01
8.4880000 0.320943D+00 -0.694560D-01
3.2170000 0.455429D+00 -0.119493D+00
1.2290000 0.268563D+00 -0.199581D-01
0.2964000 0.188336D-01 0.510268D+00
Si P
0.0876800 1.0000000
Si P
1.9980000 1.0000000
Si D
0.2750000 1.0000000
Si D
5.8060000 1.0000000
end
basis "P_cc-pCVDZ" SPHERICAL
P S
94840.0000000 0.255509D-03 -0.696939D-04 0.191199D-04
14220.0000000 0.198193D-02 -0.535266D-03 0.147223D-03
3236.0000000 0.102760D-01 -0.283709D-02 0.777912D-03
917.1000000 0.414823D-01 -0.113983D-01 0.314546D-02
299.5000000 0.131984D+00 -0.392929D-01 0.108200D-01
108.1000000 0.308662D+00 -0.996364D-01 0.279957D-01
42.1800000 0.420647D+00 -0.197983D+00 0.563978D-01
17.2800000 0.222878D+00 -0.114860D+00 0.358190D-01
4.8580000 0.164035D-01 0.518595D+00 -0.193387D+00
1.8180000 -0.254255D-02 0.601847D+00 -0.372097D+00
0.3372000 0.748050D-03 0.368612D-01 0.624246D+00
P S
0.1232000 1.0000000
P S
5.9770000 1.0000000
P P
370.5000000 0.395005D-02 -0.959832D-03
87.3300000 0.302492D-01 -0.711177D-02
27.5900000 0.129554D+00 -0.327122D-01
10.0000000 0.327594D+00 -0.795784D-01
3.8250000 0.456992D+00 -0.135016D+00
1.4940000 0.253086D+00 -0.910585D-02
0.3921000 0.168798D-01 0.537802D+00
P P
0.1186000 1.0000000
P P
2.5240000 1.0000000
P D
0.3730000 1.0000000
P D
7.0200000 1.0000000
end
basis "S_cc-pCVDZ" SPHERICAL
S S
110800.0000000 0.247635D-03 -0.687039D-04 0.199077D-04
16610.0000000 0.192026D-02 -0.527681D-03 0.153483D-03
3781.0000000 0.996192D-02 -0.279671D-02 0.809503D-03
1071.0000000 0.402975D-01 -0.112651D-01 0.328974D-02
349.8000000 0.128604D+00 -0.388834D-01 0.112967D-01
126.3000000 0.303480D+00 -0.995025D-01 0.296385D-01
49.2600000 0.421432D+00 -0.199740D+00 0.599851D-01
20.1600000 0.230781D+00 -0.123360D+00 0.413248D-01
5.7200000 0.178971D-01 0.513194D+00 -0.207474D+00
2.1820000 -0.297516D-02 0.607120D+00 -0.392889D+00
0.4327000 0.849522D-03 0.396753D-01 0.632840D+00
S S
0.1570000 1.0000000
S S
7.0830000 1.0000000
S P
399.7000000 0.447541D-02 -0.116251D-02
94.1900000 0.341708D-01 -0.865664D-02
29.7500000 0.144250D+00 -0.390886D-01
10.7700000 0.353928D+00 -0.934625D-01
4.1190000 0.459085D+00 -0.147994D+00
1.6250000 0.206383D+00 0.301904D-01
0.4726000 0.102141D-01 0.561573D+00
S P
0.1407000 1.0000000
S P
3.0890000 1.0000000
S D
0.4790000 1.0000000
S D
8.3630000 1.0000000
end
basis "Cl_cc-pCVDZ" SPHERICAL
Cl S
127900.0000000 0.241153D-03 -0.678922D-04 0.204986D-04
19170.0000000 0.187095D-02 -0.521836D-03 0.158298D-03
4363.0000000 0.970827D-02 -0.276513D-02 0.833639D-03
1236.0000000 0.393153D-01 -0.111537D-01 0.339880D-02
403.6000000 0.125932D+00 -0.385919D-01 0.116738D-01
145.7000000 0.299341D+00 -0.994848D-01 0.309622D-01
56.8100000 0.421886D+00 -0.201392D+00 0.629533D-01
23.2300000 0.237201D+00 -0.130313D+00 0.460257D-01
6.6440000 0.191531D-01 0.509443D+00 -0.219312D+00
2.5750000 -0.334792D-02 0.610725D+00 -0.408773D+00
0.5371000 0.929883D-03 0.421549D-01 0.638465D+00
Cl S
0.1938000 1.0000000
Cl S
8.2730000 1.0000000
Cl P
417.6000000 0.525982D-02 -0.143570D-02
98.3300000 0.398332D-01 -0.107796D-01
31.0400000 0.164655D+00 -0.470075D-01
11.1900000 0.387322D+00 -0.111030D+00
4.2490000 0.457072D+00 -0.153275D+00
1.6240000 0.151636D+00 0.894609D-01
0.5322000 0.181615D-02 0.579444D+00
Cl P
0.1620000 1.0000000
Cl P
3.6970000 1.0000000
Cl D
0.6000000 1.0000000
Cl D
9.8440000 1.0000000
end
basis "Ar_cc-pCVDZ" SPHERICAL
Ar S
145700.0000000 0.236700D-03 -0.674910D-04 0.210457D-04
21840.0000000 0.183523D-02 -0.518522D-03 0.162565D-03
4972.0000000 0.952860D-02 -0.274825D-02 0.855463D-03
1408.0000000 0.386283D-01 -0.111007D-01 0.349745D-02
459.7000000 0.124081D+00 -0.384820D-01 0.120156D-01
165.9000000 0.296471D+00 -0.997599D-01 0.321368D-01
64.6900000 0.422068D+00 -0.203088D+00 0.655279D-01
26.4400000 0.241711D+00 -0.135608D+00 0.499370D-01
7.6280000 0.200509D-01 0.507195D+00 -0.229769D+00
2.9960000 -0.361000D-02 0.612898D+00 -0.421006D+00
0.6504000 0.975607D-03 0.442968D-01 0.642331D+00
Ar S
0.2337000 1.0000000
Ar S
9.5480000 1.0000000
Ar P
453.7000000 0.570555D-02 -0.160655D-02
106.8000000 0.430460D-01 -0.121714D-01
33.7300000 0.176591D+00 -0.520789D-01
12.1300000 0.406863D+00 -0.123737D+00
4.5940000 0.452549D+00 -0.151619D+00
1.6780000 0.122801D+00 0.142425D+00
0.5909000 -0.445996D-02 0.584501D+00
Ar P
0.1852000 1.0000000
Ar P
4.3610000 1.0000000
Ar D
0.7380000 1.0000000
Ar D
11.4590000 1.0000000
end
basis "Ca_cc-pCVDZ" SPHERICAL
Ca S
190000.7000000 0.00022145 -0.00006453 0.00002223 0.00000531
28481.4600000 0.00171830 -0.00049662 0.00017170 0.00004111
6482.7010000 0.00892348 -0.00262826 0.00090452 0.00021568
1835.8910000 0.03630183 -0.01066845 0.00370343 0.00088827
598.7243000 0.11762223 -0.03713509 0.01283750 0.00305813
215.8841000 0.28604352 -0.09804284 0.03475459 0.00837608
84.0124200 0.42260708 -0.20342692 0.07303491 0.01741056
34.2248800 0.25774366 -0.15244655 0.06100083 0.01515453
10.0249700 0.02391893 0.48279406 -0.24292928 -0.06207919
4.0559200 -0.00495218 0.62923839 -0.48708500 -0.12611803
1.0202610 0.00171779 0.06164842 0.56502804 0.17360694
0.4268650 -0.00089209 -0.01479971 0.65574386 0.37822943
0.0633470 0.00024510 0.00361089 0.02672894 -0.65964698
Ca S
0.0263010 1.0000000
Ca S
1.1143000 1.0000000
Ca P
1072.0430000 0.00198166 -0.00064891 0.00013595
253.8439000 0.01612944 -0.00527907 0.00109420
81.3162600 0.07657851 -0.02581131 0.00542680
30.2418300 0.23269594 -0.08062892 0.01674718
12.1011000 0.42445210 -0.15846552 0.03389863
5.0225540 0.37326402 -0.12816816 0.02531183
1.9092200 0.07868530 0.25610103 -0.05895713
0.7713040 -0.00599927 0.58724068 -0.15876120
0.3005700 0.00264257 0.30372561 -0.08554523
0.0766490 -0.00085694 0.01416451 0.54464665
Ca P
0.0277720 1.0000000
Ca P
1.5101000 1.0000000
Ca D
10.3182000 0.03284900
2.5924200 0.14819200
0.7617000 0.31092100
0.2083800 0.45219500
Ca D
0.0537000 1.0000000
Ca D
1.3743000 1.0000000
end
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