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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.00000
0.00000
0.00805
2
0.00000
0.00000
-0.00805
3
0.00000
0.00000
-0.01961
4
0.00000
0.00000
-0.06210
5
0.00000
0.00000
0.06210
6
0.00000
0.00000
0.01960
7
0.00000
0.00000
0.01426
8
0.00000
0.00000
-0.03338
9
0.00000
0.00000
0.03338
10
0.00000
0.00000
-0.01426
11
0.00000
0.00000
-0.06359
12
0.00000
0.00000
-0.07610
13
0.00000
0.00000
0.07610
14
0.00000
0.00000
0.06359
15
0.00000
0.00000
-0.02149
16
0.00000
0.00000
0.02149
17
0.00000
0.00000
-0.08601
18
0.00000
0.00000
0.08601
19
0.00000
0.00000
0.03852
20
0.00000
0.00000
-0.03852
21
0.00000
0.00000
0.09641
22
0.00000
0.00000
-0.09640
23
0.00000
0.00000
-0.04703
24
0.00000
0.00000
0.04703
25
0.00000
0.00000
-0.16709
26
0.00000
0.00000
0.16708
27
0.00000
0.00000
0.07661
28
0.00000
0.00000
-0.07661
29
0.00000
0.00000
0.13614
30
0.00000
0.00000
-0.13613
31
0.00000
0.00000
0.03366
32
0.00000
0.00000
-0.03365
33
0.00000
0.00000
0.18569
34
0.00000
0.00000
-0.18569