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)
0.31200
Diff mu Y
(Debye)
-0.00600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00012
0.00002
0.00000
2
-0.00012
0.00002
0.00000
3
-0.00028
0.00007
0.00000
4
-0.00031
0.00025
0.00000
5
-0.00031
0.00025
0.00000
6
-0.00028
0.00007
0.00000
7
-0.00041
-0.00088
0.00000
8
0.00445
0.00082
0.00000
9
0.00445
0.00082
0.00000
10
-0.00041
-0.00088
0.00000
11
0.00086
0.00128
0.00000
12
0.01273
0.00200
0.00000
13
0.01275
0.00200
0.00000
14
0.00086
0.00128
0.00000
15
-0.01049
0.01133
0.00000
16
-0.01047
0.01132
0.00000
17
0.02911
-0.03232
0.00000
18
0.02907
-0.03227
0.00000
19
-0.00234
0.00273
0.00000
20
-0.00234
0.00273
0.00000
21
0.03371
0.00688
0.00000
22
0.03367
0.00687
0.00000
23
0.11704
-0.13304
0.00000
24
0.11687
-0.13286
0.00000
25
-0.32845
0.36960
0.00000
26
-0.32800
0.36909
0.00000
27
-0.00473
-0.02327
0.00000
28
-0.00471
-0.02322
0.00000
29
-0.14737
-0.02932
0.00000
30
-0.14715
-0.02927
0.00000
31
-0.05050
-0.00978
0.00000
32
-0.05052
-0.00979
0.00000
33
-0.38292
-0.08119
0.00000
34
-0.38246
-0.08110
0.00000