Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00064
-0.00018
0.00000
2
0.00064
0.00018
0.00000
3
0.00057
-0.00014
0.00000
4
-0.00019
0.00163
0.00000
5
0.00019
-0.00163
0.00000
6
-0.00057
0.00014
0.00000
7
0.00052
-0.00179
0.00000
8
-0.04469
-0.00991
0.00000
9
0.04469
0.00991
0.00000
10
-0.00052
0.00179
0.00000
11
0.00016
0.00029
0.00000
12
-0.01900
-0.00342
0.00000
13
0.01900
0.00342
0.00000
14
-0.00016
-0.00029
0.00000
15
-0.01632
0.01851
0.00000
16
0.01632
-0.01851
0.00000
17
-0.00126
0.00175
0.00000
18
0.00126
-0.00175
0.00000
19
-0.00292
-0.00729
0.00000
20
0.00292
0.00729
0.00000
21
0.01462
0.00308
0.00000
22
-0.01462
-0.00308
0.00000
23
0.19040
-0.21674
0.00000
24
-0.19039
0.21673
0.00000
25
0.01688
-0.02074
0.00000
26
-0.01688
0.02074
0.00000
27
0.02987
0.09133
0.00000
28
-0.02987
-0.09133
0.00000
29
-0.22680
-0.04539
0.00000
30
0.22678
0.04539
0.00000
31
-0.51667
-0.11042
0.00000
32
0.51666
0.11042
0.00000
33
-0.17018
-0.03438
0.00000
34
0.17018
0.03438
0.00000