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)
-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
0.00000
0.00000
-0.00509
2
0.00000
0.00000
0.00509
3
0.00000
0.00000
0.02206
4
0.00000
0.00000
0.05401
5
0.00000
0.00000
-0.05401
6
0.00000
0.00000
-0.02206
7
0.00000
0.00000
-0.01214
8
0.00000
0.00000
0.03861
9
0.00000
0.00000
-0.03861
10
0.00000
0.00000
0.01214
11
0.00000
0.00000
0.06355
12
0.00000
0.00000
0.07266
13
0.00000
0.00000
-0.07266
14
0.00000
0.00000
-0.06355
15
0.00000
0.00000
0.01443
16
0.00000
0.00000
-0.01443
17
0.00000
0.00000
0.08938
18
0.00000
0.00000
-0.08938
19
0.00000
0.00000
-0.03294
20
0.00000
0.00000
0.03294
21
0.00000
0.00000
-0.10461
22
0.00000
0.00000
0.10461
23
0.00000
0.00000
0.01947
24
0.00000
0.00000
-0.01947
25
0.00000
0.00000
0.14507
26
0.00000
0.00000
-0.14507
27
0.00000
0.00000
-0.07180
28
0.00000
0.00000
0.07180
29
0.00000
0.00000
-0.13020
30
0.00000
0.00000
0.13020
31
0.00000
0.00000
-0.04139
32
0.00000
0.00000
0.04139
33
0.00000
0.00000
-0.19688
34
0.00000
0.00000
0.19688