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6-31G**
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! 6-31G** EMSL Basis Set Exchange Library 3/18/13 5:39 PM
! Elements References
! -------- ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
! Li - Ne: 2257 (1972). Note: Li and B come from J.D. Dill and J.A.
! Pople, J. Chem. Phys. 62, 2921 (1975).
! Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
! D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
! K - Zn: V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys.
! 109, 1223 (1998)
! Note: He and Ne are unpublished basis sets taken from the Gaussian
! program
!
! Elements References
! -------- ----------
! H,Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
! Na - Ar : M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J.
! DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982).
! K - Zn: V.A. Rassolov, J.A. Pople, M.A. Ratner, and T.L. Windus
! J. Chem. Phys. 109, 1223 (1998)
! Note: He and Ne are unpublished basis sets taken from Gaussian.
!
H:6-31G**
EMSL BASIS SET LIBRARY
2
0 1
2 1
4 1
18.7311370 2.8253937 0.6401217 0.1612778
0.0334946 0.0000000
0.2347269 0.0000000
0.8137573 0.0000000
0.0000000 1.0000000
1.1000000
1.0000000
HE:6-31G**
EMSL BASIS SET LIBRARY
2
0 1
2 1
4 1
38.4216340 5.7780300 1.2417740 0.2979640
0.0237660 0.0000000
0.1546790 0.0000000
0.4696300 0.0000000
0.0000000 1.0000000
1.1000000
1.0000000
LI:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
642.4189200 96.7985150 22.0911210 6.2010703 1.9351177
0.6367358 2.3249184 0.6324306 0.0790534 0.0359620
0.0021426 0.0000000 0.0000000
0.0162089 0.0000000 0.0000000
0.0773156 0.0000000 0.0000000
0.2457860 0.0000000 0.0000000
0.4701890 0.0000000 0.0000000
0.3454708 0.0000000 0.0000000
0.0000000 -0.0350917 0.0000000
0.0000000 -0.1912328 0.0000000
0.0000000 1.0839878 0.0000000
0.0000000 0.0000000 1.0000000
2.3249184 0.6324306 0.0790534 0.0359620
0.0089415 0.0000000
0.1410095 0.0000000
0.9453637 0.0000000
0.0000000 1.0000000
0.2000000
1.0000000
BE:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
1264.5857000 189.9368100 43.1590890 12.0986630 3.8063232
1.2728903 3.1964631 0.7478133 0.2199663 0.0823099
0.0019448 0.0000000 0.0000000
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0.4691987 0.0000000 0.0000000
0.3565202 0.0000000 0.0000000
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0.0000000 1.1869167 0.0000000
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3.1964631 0.7478133 0.2199663 0.0823099
0.0559802 0.0000000
0.2615506 0.0000000
0.7939723 0.0000000
0.0000000 1.0000000
0.4000000
1.0000000
B:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
2068.8823000 310.6495700 70.6830330 19.8610800 6.2993048
2.1270270 4.7279710 1.1903377 0.3594117 0.1267512
0.0018663 0.0000000 0.0000000
0.0142515 0.0000000 0.0000000
0.0695516 0.0000000 0.0000000
0.2325729 0.0000000 0.0000000
0.4670787 0.0000000 0.0000000
0.3634314 0.0000000 0.0000000
0.0000000 -0.1303938 0.0000000
0.0000000 -0.1307889 0.0000000
0.0000000 1.1309444 0.0000000
0.0000000 0.0000000 1.0000000
4.7279710 1.1903377 0.3594117 0.1267512
0.0745976 0.0000000
0.3078467 0.0000000
0.7434568 0.0000000
0.0000000 1.0000000
0.6000000
1.0000000
C:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
3047.5249000 457.3695100 103.9486900 29.2101550 9.2866630
3.1639270 7.8682724 1.8812885 0.5442493 0.1687144
0.0018347 0.0000000 0.0000000
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0.4679413 0.0000000 0.0000000
0.3623120 0.0000000 0.0000000
0.0000000 -0.1193324 0.0000000
0.0000000 -0.1608542 0.0000000
0.0000000 1.1434564 0.0000000
0.0000000 0.0000000 1.0000000
7.8682724 1.8812885 0.5442493 0.1687144
0.0689991 0.0000000
0.3164240 0.0000000
0.7443083 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
N:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
4173.5110000 627.4579000 142.9021000 40.2343300 12.8202100
4.3904370 11.6263580 2.7162800 0.7722180 0.2120313
0.0018348 0.0000000 0.0000000
0.0139950 0.0000000 0.0000000
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11.6263580 2.7162800 0.7722180 0.2120313
0.0675800 0.0000000
0.3239070 0.0000000
0.7408950 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
O:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
5484.6717000 825.2349500 188.0469600 52.9645000 16.8975700
5.7996353 15.5396160 3.5999336 1.0137618 0.2700058
0.0018311 0.0000000 0.0000000
0.0139501 0.0000000 0.0000000
0.0684451 0.0000000 0.0000000
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15.5396160 3.5999336 1.0137618 0.2700058
0.0708743 0.0000000
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0.7271586 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
F:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
7001.7130900 1051.3660900 239.2856900 67.3974453 21.5199573
7.40310130 20.8479528 4.80830834 1.34406986 0.358151393
0.0018196 0.0000000 0.0000000
0.0139160 0.0000000 0.0000000
0.0684053 0.0000000 0.0000000
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0.4712674 0.0000000 0.0000000
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0.0000000 -0.1085069 0.0000000
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20.8479528 4.80830834 1.34406986 0.358151393
0.0716287 0.0000000
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0.7224699 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
NE:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
3 2 1
10 4 1
8425.8515300 1268.5194000 289.6214140 81.8590040 26.2515079
9.09472051 26.5321310 6.10175501 1.69627153 0.44581870
0.0018843 0.0000000 0.0000000
0.0143368 0.0000000 0.0000000
0.0701096 0.0000000 0.0000000
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0.4730071 0.0000000 0.0000000
0.3484012 0.0000000 0.0000000
0.0000000 -0.1071182 0.0000000
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0.0000000 0.0000000 1.0000000
26.5321310 6.10175501 1.69627153 0.44581870
0.0719095 0.0000000
0.3495133 0.0000000
0.7199405 0.0000000
0.0000000 1.0000000
0.8000000
1.0000000
NA:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
4 3 1
16 10 1
9993.2000000 1499.8900000 341.9510000 94.6797000 29.7345000
10.0063000 150.9630000 35.5878000 11.1683000 3.9020100
1.3817700 0.4663820 0.4979660 0.0843530 0.0666350
0.0259544
0.0019377 0.0000000 0.0000000 0.0000000
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0.2526290 0.0000000 0.0000000 0.0000000
0.4932420 0.0000000 0.0000000 0.0000000
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0.0000000 0.0000000 -0.2485030 0.0000000
0.0000000 0.0000000 -0.1317040 0.0000000
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0.0000000 0.0000000 0.0000000 1.0000000
150.9630000 35.5878000 11.1683000 3.9020100 1.3817700
0.4663820 0.4979660 0.0843530 0.0666350 0.0259544
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0.0000000 0.0598580 0.0000000
0.0000000 0.0000000 1.0000000
0.1750000
1.0000000
MG:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
4 3 1
16 10 1
11722.8000000 1759.9300000 400.8460000 112.8070000 35.9997000
12.1828000 189.1800000 45.2119000 14.3563000 5.1388600
1.9065200 0.7058870 0.9293400 0.2690350 0.1173790
0.0421061
0.0019778 0.0000000 0.0000000 0.0000000
0.0151140 0.0000000 0.0000000 0.0000000
0.0739110 0.0000000 0.0000000 0.0000000
0.2491910 0.0000000 0.0000000 0.0000000
0.4879280 0.0000000 0.0000000 0.0000000
0.3196620 0.0000000 0.0000000 0.0000000
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189.1800000 45.2119000 14.3563000 5.1388600 1.9065200
0.7058870 0.9293400 0.2690350 0.1173790 0.0421061
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0.0000000 0.0000000 1.0000000
0.1750000
1.0000000
AL:6-31G**
EMSL BASIS SET LIBRARY
3
0 1 2
4 3 1
16 10 1
13983.1000000 2098.7500000 477.7050000 134.3600000 42.8709000
14.5189000 239.6680000 57.4419000 18.2859000 6.5991400
2.4904900 0.9445400 1.2779000 0.3975900 0.1600950
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0.0019426 0.0000000 0.0000000 0.0000000
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SI:6-31G**
EMSL BASIS SET LIBRARY
3
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4 3 1
16 10 1
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17.0178000 292.7180000 69.8731000 22.3363000 8.1503900
3.1345800 1.2254300 1.7273800 0.5729220 0.2221920
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