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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-2.05400
Diff mu Y
(Debye)
2.03500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01306
-0.04174
0.00000
2
-0.01306
-0.04174
0.00000
3
-0.01225
0.08001
0.00000
4
0.00820
0.01995
0.00000
5
0.00820
0.01995
0.00000
6
-0.01225
0.08001
0.00000
7
0.01618
-0.05598
0.00000
8
-0.01010
0.02425
0.00000
9
-0.01010
0.02425
0.00000
10
0.01618
-0.05598
0.00000
11
0.00227
-0.06904
0.00000
12
-0.01368
-0.08114
0.00000
13
-0.01368
-0.08114
0.00000
14
0.00227
-0.06904
0.00000
15
0.03811
0.07786
0.00000
16
0.03811
0.07786
0.00000
17
-0.00472
0.02504
0.00000
18
-0.00472
0.02504
0.00000
19
0.03227
-0.02895
0.00000
20
0.03227
-0.02895
0.00000
21
-0.02056
0.05329
0.00000
22
-0.02056
0.05329
0.00000
23
-0.12786
-0.05333
0.00000
24
-0.12786
-0.05333
0.00000
25
-0.03213
0.00573
0.00000
26
-0.03213
0.00573
0.00000
27
-0.05301
-0.00181
0.00000
28
-0.05301
-0.00181
0.00000
29
-0.05677
0.11223
0.00000
30
-0.05677
0.11223
0.00000
31
-0.00261
-0.03174
0.00000
32
-0.00261
-0.03174
0.00000
33
0.00270
-0.07341
0.00000
34
0.00270
-0.07341
0.00000