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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.15800
Diff mu Y
(Debye)
0.43800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00001
0.00000
0.00000
2
0.00001
0.00000
0.00000
3
0.00006
0.00020
0.00000
4
0.00002
0.00000
0.00000
5
0.00002
0.00000
0.00000
6
0.00006
0.00020
0.00000
7
-0.00001
0.00090
0.00000
8
-0.00010
-0.00009
0.00000
9
-0.00010
-0.00009
0.00000
10
-0.00001
0.00091
0.00000
11
0.00049
0.00067
0.00000
12
-0.00007
-0.00001
0.00000
13
-0.00008
-0.00001
0.00000
14
0.00050
0.00067
0.00000
15
0.00020
-0.00029
0.00000
16
0.00020
-0.00029
0.00000
17
0.01025
-0.00807
0.00000
18
0.01030
-0.00811
0.00000
19
-0.01818
-0.05482
0.00000
20
-0.01827
-0.05509
0.00000
21
-0.01248
-0.00048
0.00000
22
-0.01254
-0.00048
0.00000
23
-0.00301
0.00290
0.00000
24
-0.00303
0.00292
0.00000
25
-0.09014
0.09828
0.00000
26
-0.09058
0.09876
0.00000
27
0.20136
0.61268
0.00000
28
0.20233
0.61564
0.00000
29
0.00051
0.00005
0.00000
30
0.00051
0.00005
0.00000
31
0.00157
-0.00001
0.00000
32
0.00156
-0.00001
0.00000
33
0.12565
0.02427
0.00000
34
0.12625
0.02438
0.00000