OPTIMASI 5 MOLEKUL AIR

Filename = D:/Kuliah/komputasiku/My Project/air-55real.log

Title Card Required
File Name = air-55real
File Type = .log
Calculation Type = FOPT
Calculation Method = RHF
Basis Set = 6-311G(d)
Charge = 0
Spin = Singlet
E(RHF) = -380.23201500 a.u.
RMS Gradient Norm = 0.00000481 a.u.
Imaginary Freq =
Dipole Moment = 0.7431 Debye
Point Group = C1
Job cpu time: 0 days 0 hours 10 minutes 2.2 seconds.

Z-Matriks

1 O
0.95177
2 H 1 7
0.93872 107.947
3 H 1 4 2 8
4.40491 120.263 43.3034
4 O 1 2 3 9 2 4
0.95159 75.0348 107.777
5 H 4 3 1 3 3 7
0.93815 162.888 -
6 H 4 2 1 4 3 148.009
2.76939 72.1678
7 O 1 6 4 8 6 91.4828
0.95174 4.73135
8 H 7 1 1 2 4 138.494
0.93862 107.735 -
9 H 7 6 1 8 4 127.498
2.76824 106.491 11.8158
10 O 7 4 1 2 4 1
 0.95173 6.44355 -
11 H 10 2 7 3 1 139.105
0.93898 105.302
12 H 10 5 7 2 1 110.088
2.77354 107.377 24.9583
13 O 1 3 7 7 10 4
0.95117 109.632 -
14 H 13 4 1 4 7 26.0027
0.93881
15 H 13 6 1 120.614 7 100.108