Charge: 1
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+1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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
0.02974
-0.02287
0.00000
2
-0.02974
0.02287
0.00000
3
-0.05140
0.00377
0.00000
4
0.01518
-0.02812
0.00000
5
-0.01518
0.02812
0.00000
6
0.05140
-0.00377
0.00000
7
0.03166
0.04827
0.00000
8
-0.00092
-0.00870
0.00000
9
0.00092
0.00870
0.00000
10
-0.03166
-0.04827
0.00000
11
0.06526
0.01285
0.00000
12
-0.00296
0.06270
0.00000
13
0.00296
-0.06270
0.00000
14
-0.06526
-0.01285
0.00000
15
-0.00729
0.03552
0.00000
16
0.00729
-0.03552
0.00000
17
-0.08478
-0.04764
0.00000
18
0.08478
0.04764
0.00000
19
0.06063
0.02288
0.00000
20
-0.06063
-0.02288
0.00000
21
-0.01345
-0.05606
0.00000
22
0.01345
0.05606
0.00000
23
-0.03410
0.02034
0.00000
24
0.03410
-0.02034
0.00000
25
0.13032
0.13556
0.00000
26
-0.13032
-0.13556
0.00000
27
-0.06784
0.07416
0.00000
28
0.06784
-0.07416
0.00000
29
-0.03093
0.10392
0.00000
30
0.03093
-0.10392
0.00000
31
0.00419
-0.03311
0.00000
32
-0.00419
0.03311
0.00000
33
-0.05034
0.12292
0.00000
34
0.05034
-0.12292
0.00000