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)
-2.01800
Diff mu Y
(Debye)
2.42600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05597
0.03533
0.00000
2
0.05597
0.03533
0.00000
3
0.01370
-0.06238
0.00000
4
-0.09393
-0.00763
0.00000
5
-0.09393
-0.00763
0.00000
6
0.01371
-0.06239
0.00000
7
0.01934
-0.00775
0.00000
8
0.00417
0.03040
0.00000
9
0.00417
0.03040
0.00000
10
0.01933
-0.00776
0.00000
11
-0.06172
0.03925
0.00000
12
0.01006
-0.08510
0.00000
13
0.01007
-0.08509
0.00000
14
-0.06173
0.03927
0.00000
15
0.05076
0.06453
0.00000
16
0.05077
0.06453
0.00000
17
-0.00022
-0.01722
0.00000
18
-0.00023
-0.01723
0.00000
19
0.00725
0.00819
0.00000
20
0.00727
0.00818
0.00000
21
0.00417
-0.00823
0.00000
22
0.00416
-0.00821
0.00000
23
-0.03670
-0.00789
0.00000
24
-0.03670
-0.00789
0.00000
25
-0.06712
-0.07660
0.00000
26
-0.06710
-0.07658
0.00000
27
0.03026
0.00192
0.00000
28
0.03028
0.00191
0.00000
29
-0.01679
0.02945
0.00000
30
-0.01679
0.02944
0.00000
31
-0.01989
0.14225
0.00000
32
-0.01990
0.14227
0.00000
33
-0.00358
0.03721
0.00000
34
-0.00357
0.03716
0.00000