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)
-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)
0.00300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00020
0.00034
0.00000
2
-0.00019
-0.00033
0.00000
3
-0.00053
0.00013
0.00000
4
-0.00037
-0.00198
0.00000
5
0.00037
0.00203
0.00000
6
0.00054
-0.00013
0.00000
7
-0.00123
0.00220
0.00000
8
0.05703
0.01132
0.00000
9
-0.05862
-0.01164
0.00000
10
0.00126
-0.00226
0.00000
11
0.00010
0.00006
0.00000
12
-0.00374
-0.00075
0.00000
13
0.00384
0.00077
0.00000
14
-0.00010
-0.00007
0.00000
15
-0.00093
0.00070
0.00000
16
0.00091
-0.00068
0.00000
17
0.00030
-0.00036
0.00000
18
-0.00030
0.00037
0.00000
19
0.00043
0.00082
0.00000
20
-0.00044
-0.00084
0.00000
21
-0.00561
-0.00133
0.00000
22
0.00577
0.00136
0.00000
23
0.01024
-0.01157
0.00000
24
-0.00999
0.01128
0.00000
25
-0.00338
0.00366
0.00000
26
0.00337
-0.00366
0.00000
27
-0.00405
-0.01231
0.00000
28
0.00415
0.01263
0.00000
29
-0.04288
-0.01031
0.00000
30
0.04178
0.01004
0.00000
31
0.66405
0.13691
0.00000
32
-0.64599
-0.13319
0.00000
33
0.06344
0.01175
0.00000
34
-0.06524
-0.01209
0.00000