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)
-844.32045
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
0.03742
0.02358
0.00000
2
-0.03742
-0.02358
0.00000
3
-0.05981
0.02438
0.00000
4
0.02176
0.04110
0.00000
5
-0.02176
-0.04110
0.00000
6
0.05981
-0.02438
0.00000
7
0.03875
-0.02414
0.00000
8
-0.00997
-0.03801
0.00000
9
0.00997
0.03801
0.00000
10
-0.03875
0.02414
0.00000
11
0.01427
-0.07084
0.00000
12
0.00458
0.00954
0.00000
13
-0.00458
-0.00954
0.00000
14
-0.01427
0.07084
0.00000
15
0.01582
0.03254
0.00000
16
-0.01582
-0.03254
0.00000
17
-0.00231
0.04807
0.00000
18
0.00231
-0.04807
0.00000
19
0.06076
-0.05865
0.00000
20
-0.06076
0.05865
0.00000
21
-0.04350
0.07931
0.00000
22
0.04350
-0.07931
0.00000
23
-0.08578
-0.05124
0.00000
24
0.08578
0.05124
0.00000
25
-0.08587
-0.01518
0.00000
26
0.08587
0.01518
0.00000
27
-0.14499
0.00744
0.00000
28
0.14499
-0.00744
0.00000
29
-0.01094
-0.00183
0.00000
30
0.01094
0.00183
0.00000
31
0.03284
-0.06460
0.00000
32
-0.03284
0.06460
0.00000
33
-0.00710
-0.14524
0.00000
34
0.00710
0.14524
0.00000