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)
1.23900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00279
2
0.00000
0.00000
-0.00279
3
0.00000
0.00000
-0.00496
4
0.00000
0.00000
0.04779
5
0.00000
0.00000
0.04779
6
0.00000
0.00000
-0.00496
7
0.00000
0.00000
0.03225
8
0.00000
0.00000
-0.09463
9
0.00000
0.00000
-0.09462
10
0.00000
0.00000
0.03225
11
0.00000
0.00000
0.02849
12
0.00000
0.00000
-0.01335
13
0.00000
0.00000
-0.01335
14
0.00000
0.00000
0.02849
15
0.00000
0.00000
-0.03291
16
0.00000
0.00000
-0.03291
17
0.00000
0.00000
-0.03294
18
0.00000
0.00000
-0.03294
19
0.00000
0.00000
-0.01934
20
0.00000
0.00000
-0.01934
21
0.00000
0.00000
0.01977
22
0.00000
0.00000
0.01977
23
0.00000
0.00000
0.18311
24
0.00000
0.00000
0.18312
25
0.00000
0.00000
0.15442
26
0.00000
0.00000
0.15440
27
0.00000
0.00000
0.15447
28
0.00000
0.00000
0.15447
29
0.00000
0.00000
0.06001
30
0.00000
0.00000
0.06000
31
0.00000
0.00000
0.44708
32
0.00000
0.00000
0.44712
33
0.00000
0.00000
-0.13455
34
0.00000
0.00000
-0.13453