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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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
0.00021
0.00015
0.00000
2
-0.00021
-0.00015
0.00000
3
-0.00014
0.00014
0.00000
4
0.00023
-0.00039
0.00000
5
-0.00023
0.00039
0.00000
6
0.00014
-0.00014
0.00000
7
-0.00029
-0.00151
0.00000
8
-0.00591
-0.00055
0.00000
9
0.00591
0.00055
0.00000
10
0.00029
0.00151
0.00000
11
0.00098
0.00092
0.00000
12
-0.02480
-0.00421
0.00000
13
0.02480
0.00421
0.00000
14
-0.00098
-0.00092
0.00000
15
-0.01812
0.02117
0.00000
16
0.01812
-0.02117
0.00000
17
0.00822
-0.00950
0.00000
18
-0.00822
0.00950
0.00000
19
-0.00658
-0.01212
0.00000
20
0.00658
0.01212
0.00000
21
0.03907
0.00765
0.00000
22
-0.03907
-0.00765
0.00000
23
0.21042
-0.24938
0.00000
24
-0.21042
0.24938
0.00000
25
-0.09002
0.10475
0.00000
26
0.09002
-0.10475
0.00000
27
0.05522
0.15065
0.00000
28
-0.05522
-0.15065
0.00000
29
-0.29374
-0.05271
0.00000
30
0.29374
0.05271
0.00000
31
-0.06873
-0.01211
0.00000
32
0.06873
0.01211
0.00000
33
-0.45116
-0.08410
0.00000
34
0.45116
0.08410
0.00000