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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
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
-0.06521
-0.00575
0.00000
2
0.06521
0.00575
0.00000
3
0.08361
0.00539
0.00000
4
-0.03656
-0.01531
0.00000
5
0.03656
0.01531
0.00000
6
-0.08361
-0.00539
0.00000
7
-0.06091
-0.02009
0.00000
8
0.01421
0.02822
0.00000
9
-0.01421
-0.02822
0.00000
10
0.06091
0.02009
0.00000
11
-0.06085
-0.00467
0.00000
12
0.00291
-0.03067
0.00000
13
-0.00291
0.03067
0.00000
14
0.06085
0.00467
0.00000
15
0.00505
-0.02375
0.00000
16
-0.00505
0.02375
0.00000
17
0.07268
0.02881
0.00000
18
-0.07268
-0.02881
0.00000
19
-0.08470
0.01775
0.00000
20
0.08469
-0.01775
0.00000
21
0.04249
-0.01563
0.00000
22
-0.04249
0.01563
0.00000
23
0.02579
-0.00985
0.00000
24
-0.02579
0.00985
0.00000
25
-0.06265
-0.09132
0.00000
26
0.06265
0.09132
0.00000
27
0.10686
-0.04502
0.00000
28
-0.10686
0.04502
0.00000
29
0.01220
-0.02180
0.00000
30
-0.01220
0.02180
0.00000
31
-0.03042
0.05174
0.00000
32
0.03042
-0.05174
0.00000
33
0.03609
0.03020
0.00000
34
-0.03609
-0.03019
0.00000