1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93
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$ Basis =MIDI (Huzinaga)
$ S. HUZINAGA, ED.,J. ANDZELM, M. KLOBUKOWSKI, E. RADZIO-ANDZELM, Y. SAKAI,
$ H. TATEWAKI IN GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS:
$ ELSEVIER, AMSTERDAM, 1984.
a 1
$ HYDROGEN (3S) -> [2S]
$ s functions
3 2 0
4.501800000 0.7045200000E-01 0.
0.6814440000 0.4078260000 0.
0.1513980000 0. 1.000000000
a 6
$ CARBON (6S,3P) -> [3S,2P]
$ s functions
6 3 0
153.1722600 0.7074000000E-01 0. 0.
23.07303000 0.3953800000 0. 0.
4.923290000 0.6633110000 0. 0.
5.725570000 0. -0.8138000000E-01 0.
0.4550400000 0. 0.5748530000 0.
0.1470700000 0. 0. 1.000000000
$ p functions
3 2 0
4.251310000 0.1099310000 0.
0.8632700000 0.4627130000 0.
0.2013500000 0. 1.000000000
a 7
$ NITROGEN (6S,3P) -> [3S,2P]
$ s functions
6 3 0
218.3644900 0.6787000000E-01 0. 0.
32.59889000 0.3902020000 0. 0.
6.917390000 0.6700830000 0. 0.
8.326380000 0. -0.8089000000E-01 0.
0.6591900000 0. 0.5672020000 0.
0.2100900000 0. 0. 1.000000000
$ p functions
3 2 0
6.120350000 0.1159190000 0.
1.259380000 0.4699580000 0.
0.2914500000 0. 1.000000000
a 8
$ OXYGEN (6S,3P) -> [3S,2P]
$ s functions
6 3 0
281.8665800 0.6906000000E-01 0. 0.
42.41600000 0.3931590000 0. 0.
9.095620000 0.6656690000 0. 0.
11.46603000 0. -0.8082000000E-01 0.
0.8878600000 0. 0.5820900000 0.
0.2788000000 0. 0. 1.000000000
$ p functions
3 2 0
8.047240000 0.1242710000 0.
1.668420000 0.4765940000 0.
0.3725100000 0. 1.000000000
a 25
$ MANGANESE
$ "DZC-SET", Tatewaki and Huzinaga, J. Chem. Phys. 71 (1979)
$ s functions
12 4 0
3033.75289 0.06392 0.00000 0.00000 0.00000
459.27073 0.37715 0.00000 0.00000 0.00000
100.50759 0.68070 0.00000 0.00000 0.00000
133.55106 0.00000 -0.10291 0.00000 0.00000
12.46163 0.00000 0.68075 0.00000 0.00000
5.09372 0.00000 0.38568 0.00000 0.00000
9.57015 0.00000 0.00000 -0.23103 0.00000
1.61627 0.00000 0.00000 0.66648 0.00000
0.65687 0.00000 0.00000 0.46839 0.00000
0.76299 0.00000 0.00000 0.00000 -0.13814
0.09375 0.00000 0.00000 0.00000 0.64954
0.03511 0.00000 0.00000 0.00000 0.44293
$ p functions
6 2 0
168.91009 0.09132 0.00000
38.45745 0.44327 0.00000
10.86468 0.62333 0.00000
28.03416 0.00000 -0.02765
2.76349 0.00000 0.49343
0.86118 0.00000 0.60479
$ d functions
4 1 0
20.91417 0.06386
5.50330 0.28238
1.66386 0.51899
0.46308 0.44330
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