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)
0.21400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09176
2
0.00000
0.00000
-0.09176
3
0.00000
0.00000
-0.08074
4
0.00000
0.00000
-0.00530
5
0.00000
0.00000
-0.00530
6
0.00000
0.00000
-0.08074
7
0.00000
0.00000
-0.01090
8
0.00000
0.00000
0.03691
9
0.00000
0.00000
0.03691
10
0.00000
0.00000
-0.01090
11
0.00000
0.00000
-0.05514
12
0.00000
0.00000
0.08594
13
0.00000
0.00000
0.08594
14
0.00000
0.00000
-0.05514
15
0.00000
0.00000
0.04068
16
0.00000
0.00000
0.04068
17
0.00000
0.00000
-0.04575
18
0.00000
0.00000
-0.04575
19
0.00000
0.00000
0.02132
20
0.00000
0.00000
0.02132
21
0.00000
0.00000
0.05629
22
0.00000
0.00000
0.05629
23
0.00000
0.00000
0.10854
24
0.00000
0.00000
0.10854
25
0.00000
0.00000
-0.04486
26
0.00000
0.00000
-0.04486
27
0.00000
0.00000
0.06049
28
0.00000
0.00000
0.06049
29
0.00000
0.00000
0.19231
30
0.00000
0.00000
0.19231
31
0.00000
0.00000
0.12581
32
0.00000
0.00000
0.12581
33
0.00000
0.00000
0.13453
34
0.00000
0.00000
0.13453