Charge: 0
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
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
0.00016
-0.00028
0.00000
2
-0.00016
0.00028
0.00000
3
-0.00009
-0.00041
0.00000
4
0.00059
-0.00222
0.00000
5
-0.00059
0.00222
0.00000
6
0.00009
0.00041
0.00000
7
-0.00049
0.00252
0.00000
8
0.04781
0.00965
0.00000
9
-0.04781
-0.00965
0.00000
10
0.00049
-0.00252
0.00000
11
-0.00077
-0.00120
0.00000
12
0.00468
0.00090
0.00000
13
-0.00468
-0.00090
0.00000
14
0.00077
0.00120
0.00000
15
0.01377
-0.01641
0.00000
16
-0.01377
0.01641
0.00000
17
-0.00970
0.01121
0.00000
18
0.00970
-0.01121
0.00000
19
0.00126
-0.00138
0.00000
20
-0.00126
0.00138
0.00000
21
-0.01567
-0.00344
0.00000
22
0.01567
0.00344
0.00000
23
-0.16543
0.18700
0.00000
24
0.16543
-0.18700
0.00000
25
0.11075
-0.12352
0.00000
26
-0.11075
0.12352
0.00000
27
0.00196
0.01062
0.00000
28
-0.00196
-0.01062
0.00000
29
0.06639
0.01132
0.00000
30
-0.06639
-0.01132
0.00000
31
0.56057
0.11409
0.00000
32
-0.56057
-0.11409
0.00000
33
0.18153
0.03815
0.00000
34
-0.18153
-0.03815
0.00000