SOGGA11 GAUSSIAN

Submitted by yyamamoto on Thu, 12/17/2015 - 13:03

SOGGA11/6-311G** SCF=tight
Atomic No.
Energy (g09) cycles
1 E(USOGGA11) -0.5033699165 8
2 E(RSOGGA11) -2.8994146068 9
3 E(USOGGA11) -7.4850005209 10
4 E(RSOGGA11) -14.683716705 11
5 E(USOGGA11) -24.6668797631 12
6 E(USOGGA11) -37.8577193898 12
7 E(USOGGA11) -54.6044075167 11
8 E(USOGGA11) -75.0694662787 11
9 E(USOGGA11) -99.7306971736 11
10 E(RSOGGA11) -128.931572859 10
11 E(USOGGA11) -162.264536209 12
12 E(RSOGGA11) -200.071189577 9
13 E(USOGGA11) -242.354462142 10
14 E(USOGGA11) -289.358481679 12
15 E(USOGGA11) -341.249825271 13
16 E(USOGGA11) -398.090642142 19
17 E(USOGGA11) -460.128522016 129
18 E(RSOGGA11) -527.513637182 13
19 E(USOGGA11) -599.891590196 11
20 E(RSOGGA11) -677.543044344 9
21 E(USOGGA11) -760.587116443 16





SOGGA11/6-311++G SCF=tight
Atomic No.
Energy (g09) cycles
1 E(USOGGA11) -0.5033916354 8
2 E(RSOGGA11) -2.900223436 12
3 E(USOGGA11) -7.4851223105 11
4 E(RSOGGA11) -14.6837710031 7
5 E(USOGGA11) -24.6666869233 9
6 E(USOGGA11) -37.8585971495 9
7 E(USOGGA11) -54.607539327 14
8 E(USOGGA11) -75.0741658579 18
9 E(USOGGA11) -99.7382900873 13
10 E(RSOGGA11) -128.943137661 13
11 E(USOGGA11) -162.264734235 39
12 E(RSOGGA11) -200.071640623 9
13 E(USOGGA11) -242.353923982 129
14 E(USOGGA11) -289.357911114 17
15 E(USOGGA11) -341.250147219 10
16 E(USOGGA11) -398.088268681 129
17 E(USOGGA11) -460.128457153 129
18 E(RSOGGA11) -527.514628198 15
19 E(USOGGA11) -599.891651461 12
20 E(RSOGGA11) -677.543558861 11
21 E(USOGGA11) -760.58281902 129





SOGGA11/6-31G* SCF=tight
Atomic No.
Energy (g09) cycles
1 E(USOGGA11) -0.50220308 8
2 E(RSOGGA11) -2.8974003306 8
3 E(USOGGA11) -7.4849314716 13
4 E(RSOGGA11) -14.6826754456 11
5 E(USOGGA11) -24.6602118771 11
6 E(USOGGA11) -37.8487773152 11
7 E(USOGGA11) -54.5933748009 12
8 E(USOGGA11) -75.0485110654 12
9 E(USOGGA11) -99.6947800997 11
10 E(RSOGGA11) -128.876425233 9
11 E(USOGGA11) -162.254774079 16
12 E(RSOGGA11) -200.057052595 8
13 E(USOGGA11) -242.336015511 16
14 E(USOGGA11) -289.33642314 15
15 E(USOGGA11) -341.223010661 14
16 E(USOGGA11) -398.064487058 14
17 E(USOGGA11) -460.096344246 129
18 E(RSOGGA11) -527.48439681 11
19 E(USOGGA11) -599.855733584 13
20 E(RSOGGA11) -677.50660982 11
21 E(USOGGA11) -760.547858619 21





SOGGA11/6-31+G* SCF=tight
Atomic No.
Energy (g09) cycles
1 E(USOGGA11) -0.50220308 8
2 E(RSOGGA11) -2.8974003306 8
3 E(USOGGA11) -7.4851077325 13
4 E(RSOGGA11) -14.6842832892 7
5 E(USOGGA11) -24.6644987737 9
6 E(USOGGA11) -37.8539827417 9
7 E(USOGGA11) -54.5972686444 13
8 E(USOGGA11) -75.0557332918 17
9 E(USOGGA11) -99.7094150901 14
10 E(RSOGGA11) -128.896651131 11
11 E(USOGGA11) -162.254857062 21
12 E(RSOGGA11) -200.057260076 9
13 E(USOGGA11) -242.336918076 12
14 E(USOGGA11) -289.33775845 12
15 E(USOGGA11) -341.224653353 12
16 E(USOGGA11) -398.066872675 15
17 E(USOGGA11) -460.099440825 129
18 E(RSOGGA11) -527.489159705 12
19 E(USOGGA11) -599.85583089 18
20 E(RSOGGA11) -677.50706399 13
21 E(USOGGA11) -760.558931505 28





SOGGA11/STO-3G SCF=tight
Atomic No.
Energy (g09) cycles
1 E(USOGGA11) -0.468817581 3
2 E(RSOGGA11) -2.8354641163 3
3 E(USOGGA11) -7.3675221502 4
4 E(RSOGGA11) -14.4684445574 3
5 E(USOGGA11) -24.2925453884 3
6 E(USOGGA11) -37.360824143 3
7 E(USOGGA11) -53.8914719676 3
8 E(USOGGA11) -74.0137446158 3
9 E(USOGGA11) -98.2312004536 3
10 E(RSOGGA11) -126.881795807 3
11 E(USOGGA11) -160.030124142 14
12 E(RSOGGA11) -197.397854082 7
13 E(USOGGA11) -239.261888324 8
14 E(USOGGA11) -285.876117929 129
15 E(USOGGA11) -337.290080428 6
16 E(USOGGA11) -393.590960829 6
17 E(USOGGA11) -455.022029282 6
18 E(RSOGGA11) -521.744920244 3
19 E(USOGGA11) -593.649805974 12
20 E(RSOGGA11) -670.609783276 8
21 E(USOGGA11) -752.658747425 14

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