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)
-2.68100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00300
Eigenvectors
#
X
Y
Z
1
0.07600
0.00000
-0.00929
2
0.07601
0.00000
0.00941
3
-0.01930
0.00000
-0.06708
4
-0.00545
0.00000
-0.09867
5
-0.01951
0.00000
0.06707
6
-0.00583
0.00000
0.09859
7
-0.02052
0.00000
0.03408
8
-0.05945
0.00000
0.04095
9
-0.02060
0.00000
-0.03422
10
-0.05949
0.00000
-0.04098
11
0.03010
0.00000
0.01569
12
0.05497
0.00000
0.02782
13
0.03021
0.00000
-0.01564
14
0.05503
0.00000
-0.02771
15
-0.00614
0.00000
-0.03263
16
-0.00753
0.00000
-0.06527
17
-0.00612
0.00000
0.03264
18
-0.00756
0.00000
0.06521
19
0.00144
0.00000
-0.00779
20
0.00141
0.00000
0.00783
21
-0.04570
0.00000
-0.01202
22
-0.04581
0.00000
0.01190
23
-0.00760
0.00000
-0.01016
24
-0.01286
0.00000
0.13134
25
-0.00758
0.00000
0.01075
26
-0.01287
0.00000
-0.13113
27
0.02676
0.00000
0.01452
28
0.03009
0.00000
0.01263
29
0.02705
0.00000
-0.01456
30
0.03032
0.00000
-0.01261
31
0.00167
0.00000
0.00864
32
0.00210
0.00000
-0.00842
33
-0.01554
0.00000
-0.01834
34
-0.01585
0.00000
0.01855