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
-0.00124
-0.00827
0.00000
2
0.00124
0.00827
0.00000
3
-0.01644
-0.02794
0.00000
4
0.00157
-0.02443
0.00000
5
-0.00157
0.02443
0.00000
6
0.01644
0.02794
0.00000
7
-0.05290
0.04348
0.00000
8
-0.08814
0.01371
0.00000
9
0.08814
-0.01371
0.00000
10
0.05290
-0.04348
0.00000
11
0.01531
-0.05921
0.00000
12
0.02362
-0.05080
0.00000
13
-0.02362
0.05080
0.00000
14
-0.01531
0.05921
0.00000
15
-0.00019
0.04601
0.00000
16
0.00019
-0.04601
0.00000
17
0.04036
-0.08945
0.00000
18
-0.04036
0.08945
0.00000
19
0.00925
0.03480
0.00000
20
-0.00925
-0.03480
0.00000
21
0.01520
0.04800
0.00000
22
-0.01520
-0.04800
0.00000
23
0.06373
0.10333
0.00000
24
-0.06373
-0.10333
0.00000
25
-0.00430
-0.12817
0.00000
26
0.00430
0.12817
0.00000
27
-0.07888
0.06231
0.00000
28
0.07888
-0.06231
0.00000
29
-0.02309
0.05241
0.00000
30
0.02309
-0.05241
0.00000
31
0.09613
-0.05742
0.00000
32
-0.09613
0.05742
0.00000
33
0.02391
0.00374
0.00000
34
-0.02391
-0.00374
0.00000