Charge: 0
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
Electronic States
Energy
(eV)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.77300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05483
0.00000
0.02172
2
0.05483
0.00000
-0.02172
3
-0.02988
0.00000
0.00734
4
-0.01734
0.00000
0.00875
5
-0.02988
0.00000
-0.00734
6
-0.01734
0.00000
-0.00874
7
-0.07712
0.00000
-0.06861
8
-0.00346
0.00000
0.00762
9
-0.07712
0.00000
0.06861
10
-0.00346
0.00000
-0.00762
11
0.01004
0.00000
-0.04701
12
-0.00297
0.00000
-0.00572
13
0.01004
0.00000
0.04701
14
-0.00297
0.00000
0.00572
15
0.03060
0.00000
0.02382
16
-0.03036
0.00000
0.02861
17
0.03060
0.00000
-0.02382
18
-0.03036
0.00000
-0.02861
19
0.01006
0.00000
0.02075
20
0.01006
0.00000
-0.02075
21
0.03007
0.00000
0.07897
22
0.03007
0.00000
-0.07897
23
0.03810
0.00000
0.10042
24
-0.03872
0.00000
0.27151
25
0.03810
0.00000
-0.10040
26
-0.03872
0.00000
-0.27151
27
0.07495
0.00000
-0.01851
28
0.05345
0.00000
0.02887
29
0.07495
0.00000
0.01851
30
0.05344
0.00000
-0.02886
31
-0.01967
0.00000
0.01708
32
-0.01966
0.00000
-0.01708
33
0.19585
0.00000
0.13357
34
0.19584
0.00000
-0.13356