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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04135
-0.09852
0.00000
2
0.04135
0.09852
0.00000
3
-0.00615
0.02381
0.00000
4
-0.05597
-0.00068
0.00000
5
0.05597
0.00068
0.00000
6
0.00615
-0.02381
0.00000
7
0.07422
0.01332
0.00000
8
-0.01140
-0.04239
0.00000
9
0.01140
0.04239
0.00000
10
-0.07422
-0.01332
0.00000
11
-0.01141
0.05030
0.00000
12
0.01237
-0.00885
0.00000
13
-0.01237
0.00885
0.00000
14
0.01141
-0.05030
0.00000
15
-0.00518
-0.02764
0.00000
16
0.00518
0.02764
0.00000
17
-0.00155
-0.02844
0.00000
18
0.00155
0.02844
0.00000
19
0.00106
-0.00601
0.00000
20
-0.00106
0.00601
0.00000
21
-0.02882
0.02547
0.00000
22
0.02882
-0.02547
0.00000
23
0.10076
0.06829
0.00000
24
-0.10076
-0.06829
0.00000
25
-0.00411
-0.03381
0.00000
26
0.00411
0.03381
0.00000
27
0.05601
-0.02762
0.00000
28
-0.05601
0.02762
0.00000
29
-0.02245
0.06256
0.00000
30
0.02245
-0.06256
0.00000
31
0.07966
-0.28850
0.00000
32
-0.07966
0.28850
0.00000
33
0.01781
-0.19824
0.00000
34
-0.01781
0.19824
0.00000