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)
-0.05400
Diff mu Y
(Debye)
0.27000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01123
0.01428
0.00000
2
-0.01123
0.01428
0.00000
3
-0.00029
-0.02405
0.00000
4
0.01040
0.05200
0.00000
5
0.01040
0.05200
0.00000
6
-0.00029
-0.02405
0.00000
7
-0.03394
-0.02007
0.00000
8
0.07002
0.06489
0.00000
9
0.07002
0.06489
0.00000
10
-0.03394
-0.02007
0.00000
11
0.02814
-0.01753
0.00000
12
-0.07176
-0.02972
0.00000
13
-0.07176
-0.02972
0.00000
14
0.02814
-0.01753
0.00000
15
0.01257
-0.05918
0.00000
16
0.01257
-0.05918
0.00000
17
0.03452
0.01931
0.00000
18
0.03452
0.01931
0.00000
19
0.03172
0.04015
0.00000
20
0.03172
0.04015
0.00000
21
-0.07760
-0.03717
0.00000
22
-0.07760
-0.03717
0.00000
23
0.04502
-0.03282
0.00000
24
0.04502
-0.03282
0.00000
25
0.01293
0.00100
0.00000
26
0.01293
0.00100
0.00000
27
0.10715
0.01307
0.00000
28
0.10715
0.01307
0.00000
29
-0.07004
-0.03458
0.00000
30
-0.07004
-0.03458
0.00000
31
0.05870
0.13070
0.00000
32
0.05870
0.13070
0.00000
33
-0.06501
-0.11201
0.00000
34
-0.06501
-0.11201
0.00000