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)
-0.18200
Diff mu Y
(Debye)
0.02400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05171
0.02219
0.00000
2
-0.05171
0.02219
0.00000
3
0.01784
0.02036
0.00000
4
-0.05200
-0.05316
0.00000
5
-0.05200
-0.05316
0.00000
6
0.01784
0.02036
0.00000
7
0.03694
0.00329
0.00000
8
-0.01275
-0.06405
0.00000
9
-0.01275
-0.06405
0.00000
10
0.03694
0.00329
0.00000
11
0.03102
0.02683
0.00000
12
-0.02499
-0.05863
0.00000
13
-0.02499
-0.05863
0.00000
14
0.03102
0.02683
0.00000
15
0.04150
-0.07190
0.00000
16
0.04150
-0.07190
0.00000
17
-0.00036
0.06392
0.00000
18
-0.00036
0.06392
0.00000
19
0.00567
0.06848
0.00000
20
0.00567
0.06848
0.00000
21
0.00910
0.04342
0.00000
22
0.00910
0.04342
0.00000
23
0.02501
-0.08637
0.00000
24
0.02501
-0.08637
0.00000
25
-0.01413
0.05242
0.00000
26
-0.01413
0.05242
0.00000
27
0.02341
0.06437
0.00000
28
0.02341
0.06437
0.00000
29
-0.03848
0.00216
0.00000
30
-0.03848
0.00216
0.00000
31
-0.00286
-0.12037
0.00000
32
-0.00286
-0.12037
0.00000
33
0.00390
0.07870
0.00000
34
0.00390
0.07870
0.00000