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)
-0.11800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00223
2
0.00000
0.00000
0.00223
3
0.00000
0.00000
-0.00700
4
0.00000
0.00000
0.00550
5
0.00000
0.00000
0.00550
6
0.00000
0.00000
-0.00700
7
0.00000
0.00000
0.00180
8
0.00000
0.00000
-0.00184
9
0.00000
0.00000
-0.00184
10
0.00000
0.00000
0.00180
11
0.00000
0.00000
-0.00550
12
0.00000
0.00000
-0.03836
13
0.00000
0.00000
-0.03836
14
0.00000
0.00000
-0.00550
15
0.00000
0.00000
0.04141
16
0.00000
0.00000
0.04141
17
0.00000
0.00000
0.03531
18
0.00000
0.00000
0.03531
19
0.00000
0.00000
-0.06810
20
0.00000
0.00000
-0.06810
21
0.00000
0.00000
0.03174
22
0.00000
0.00000
0.03174
23
0.00000
0.00000
-0.24251
24
0.00000
0.00000
-0.24251
25
0.00000
0.00000
-0.19899
26
0.00000
0.00000
-0.19899
27
0.00000
0.00000
0.43116
28
0.00000
0.00000
0.43116
29
0.00000
0.00000
0.23133
30
0.00000
0.00000
0.23133
31
0.00000
0.00000
0.00442
32
0.00000
0.00000
0.00442
33
0.00000
0.00000
-0.19191
34
0.00000
0.00000
-0.19191