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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02989
0.04134
0.00000
2
-0.02979
-0.04138
0.00000
3
0.01322
0.05171
0.00000
4
-0.00147
-0.00488
0.00000
5
0.00150
0.00483
0.00000
6
-0.01336
-0.05167
0.00000
7
-0.01925
-0.01036
0.00000
8
0.03117
0.02128
0.00000
9
-0.03109
-0.02131
0.00000
10
0.01919
0.01033
0.00000
11
-0.01559
-0.01658
0.00000
12
-0.01035
-0.01326
0.00000
13
0.01025
0.01328
0.00000
14
0.01555
0.01666
0.00000
15
0.00154
-0.00710
0.00000
16
-0.00145
0.00708
0.00000
17
-0.06090
-0.01608
0.00000
18
0.06097
0.01603
0.00000
19
0.01904
0.06609
0.00000
20
-0.01908
-0.06611
0.00000
21
0.04548
-0.05172
0.00000
22
-0.04547
0.05177
0.00000
23
0.01032
-0.00070
0.00000
24
-0.01011
0.00077
0.00000
25
-0.24191
-0.17148
0.00000
26
0.24215
0.17157
0.00000
27
-0.00112
0.08074
0.00000
28
0.00076
-0.08066
0.00000
29
0.00326
0.05420
0.00000
30
-0.00343
-0.05389
0.00000
31
-0.01661
-0.10599
0.00000
32
0.01669
0.10598
0.00000
33
0.11103
-0.34144
0.00000
34
-0.11103
0.34158
0.00000