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)
-844.54925
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)
0.20000
Diff mu Y
(Debye)
0.09500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05793
0.00179
0.00000
2
-0.05793
0.00179
0.00000
3
-0.02997
-0.00204
0.00000
4
-0.06057
-0.00146
0.00000
5
-0.06057
-0.00146
0.00000
6
-0.02997
-0.00204
0.00000
7
-0.02601
-0.02781
0.00000
8
-0.04494
-0.02130
0.00000
9
-0.04494
-0.02130
0.00000
10
-0.02601
-0.02781
0.00000
11
0.01396
0.03066
0.00000
12
-0.02539
0.04346
0.00000
13
-0.02539
0.04346
0.00000
14
0.01396
0.03066
0.00000
15
0.00689
0.04213
0.00000
16
0.00689
0.04213
0.00000
17
0.07526
0.01614
0.00000
18
0.07525
0.01614
0.00000
19
0.08748
-0.02437
0.00000
20
0.08748
-0.02437
0.00000
21
0.04269
-0.05680
0.00000
22
0.04269
-0.05680
0.00000
23
0.01416
0.04922
0.00000
24
0.01416
0.04922
0.00000
25
0.10912
0.04618
0.00000
26
0.10912
0.04618
0.00000
27
0.12067
-0.03535
0.00000
28
0.12067
-0.03535
0.00000
29
-0.03515
0.08652
0.00000
30
-0.03515
0.08652
0.00000
31
-0.04271
-0.03536
0.00000
32
-0.04271
-0.03536
0.00000
33
0.05480
-0.11601
0.00000
34
0.05480
-0.11601
0.00000