Charge: 0
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
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
0.00009
-0.00018
0.00000
2
-0.00009
0.00018
0.00000
3
0.00005
-0.00021
0.00000
4
0.00036
-0.00136
0.00000
5
-0.00036
0.00136
0.00000
6
-0.00005
0.00021
0.00000
7
0.00019
-0.00128
0.00000
8
-0.00076
0.00044
0.00000
9
0.00076
-0.00044
0.00000
10
-0.00019
0.00128
0.00000
11
-0.00104
-0.00111
0.00000
12
-0.03275
-0.00870
0.00000
13
0.03275
0.00870
0.00000
14
0.00104
0.00111
0.00000
15
0.02185
-0.02762
0.00000
16
-0.02185
0.02762
0.00000
17
0.00131
-0.00206
0.00000
18
-0.00131
0.00206
0.00000
19
0.00477
0.01651
0.00000
20
-0.00477
-0.01651
0.00000
21
0.02897
0.00534
0.00000
22
-0.02897
-0.00534
0.00000
23
-0.26355
0.29775
0.00000
24
0.26355
-0.29775
0.00000
25
-0.02264
0.02890
0.00000
26
0.02264
-0.02890
0.00000
27
-0.05727
-0.17886
0.00000
28
0.05727
0.17886
0.00000
29
-0.37036
-0.08035
0.00000
30
0.37036
0.08035
0.00000
31
-0.00521
-0.00205
0.00000
32
0.00521
0.00205
0.00000
33
-0.33260
-0.06838
0.00000
34
0.33260
0.06838
0.00000