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
0.07749
2
0.00000
0.00000
-0.07749
3
0.00000
0.00000
-0.06030
4
0.00000
0.00000
0.02199
5
0.00000
0.00000
-0.02199
6
0.00000
0.00000
0.06030
7
0.00000
0.00000
0.01261
8
0.00000
0.00000
0.04986
9
0.00000
0.00000
-0.04986
10
0.00000
0.00000
-0.01261
11
0.00000
0.00000
0.00157
12
0.00000
0.00000
-0.01888
13
0.00000
0.00000
0.01888
14
0.00000
0.00000
-0.00157
15
0.00000
0.00000
-0.00081
16
0.00000
0.00000
0.00081
17
0.00000
0.00000
0.04104
18
0.00000
0.00000
-0.04104
19
0.00000
0.00000
0.01709
20
0.00000
0.00000
-0.01709
21
0.00000
0.00000
-0.02696
22
0.00000
0.00000
0.02696
23
0.00000
0.00000
-0.03273
24
0.00000
0.00000
0.03273
25
0.00000
0.00000
-0.30448
26
0.00000
0.00000
0.30448
27
0.00000
0.00000
-0.07217
28
0.00000
0.00000
0.07217
29
0.00000
0.00000
-0.08819
30
0.00000
0.00000
0.08819
31
0.00000
0.00000
0.43129
32
0.00000
0.00000
-0.43129
33
0.00000
0.00000
0.12176
34
0.00000
0.00000
-0.12176