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)
-844.57197
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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00065
-0.00550
0.00000
2
0.00065
0.00550
0.00000
3
-0.05299
0.01076
0.00000
4
-0.04715
0.02961
0.00000
5
0.04715
-0.02961
0.00000
6
0.05299
-0.01076
0.00000
7
-0.01458
-0.00471
0.00000
8
0.03266
-0.00516
0.00000
9
-0.03266
0.00516
0.00000
10
0.01458
0.00471
0.00000
11
0.01272
0.01205
0.00000
12
0.04445
0.02519
0.00000
13
-0.04445
-0.02519
0.00000
14
-0.01272
-0.01205
0.00000
15
0.02472
0.02681
0.00000
16
-0.02472
-0.02681
0.00000
17
0.00881
0.00930
0.00000
18
-0.00881
-0.00930
0.00000
19
-0.02754
0.00620
0.00000
20
0.02754
-0.00620
0.00000
21
0.02565
-0.01181
0.00000
22
-0.02565
0.01181
0.00000
23
0.27285
0.25200
0.00000
24
-0.27285
-0.25200
0.00000
25
0.05467
0.04994
0.00000
26
-0.05467
-0.04994
0.00000
27
-0.25045
0.07954
0.00000
28
0.25045
-0.07954
0.00000
29
0.00511
-0.28109
0.00000
30
-0.00511
0.28109
0.00000
31
-0.06089
0.14801
0.00000
32
0.06089
-0.14801
0.00000
33
0.05128
-0.13018
0.00000
34
-0.05128
0.13018
0.00000