Charge: 2
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+2
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
0.01876
2
0.00000
0.00000
-0.01876
3
0.00000
0.00000
-0.09698
4
0.00000
0.00000
-0.08816
5
0.00000
0.00000
0.08816
6
0.00000
0.00000
0.09698
7
0.00000
0.00000
-0.02527
8
0.00000
0.00000
0.02439
9
0.00000
0.00000
-0.02439
10
0.00000
0.00000
0.02527
11
0.00000
0.00000
0.03115
12
0.00000
0.00000
0.01698
13
0.00000
0.00000
-0.01698
14
0.00000
0.00000
-0.03115
15
0.00000
0.00000
0.00326
16
0.00000
0.00000
-0.00326
17
0.00000
0.00000
0.05439
18
0.00000
0.00000
-0.05439
19
0.00000
0.00000
-0.07529
20
0.00000
0.00000
0.07529
21
0.00000
0.00000
0.06260
22
0.00000
0.00000
-0.06260
23
0.00000
0.00000
-0.06245
24
0.00000
0.00000
0.06245
25
0.00000
0.00000
0.07795
26
0.00000
0.00000
-0.07795
27
0.00000
0.00000
-0.16189
28
0.00000
0.00000
0.16189
29
0.00000
0.00000
-0.13487
30
0.00000
0.00000
0.13487
31
0.00000
0.00000
-0.18770
32
0.00000
0.00000
0.18770
33
0.00000
0.00000
0.13649
34
0.00000
0.00000
-0.13649