Charge: -1
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-1
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
-0.00101
0.00193
0.00000
2
0.00101
-0.00193
0.00000
3
0.04012
-0.02158
0.00000
4
0.02759
-0.04699
0.00000
5
-0.02759
0.04699
0.00000
6
-0.04012
0.02158
0.00000
7
0.04782
-0.02747
0.00000
8
0.05422
-0.04868
0.00000
9
-0.05422
0.04868
0.00000
10
-0.04782
0.02747
0.00000
11
0.02806
-0.02950
0.00000
12
0.01415
-0.06844
0.00000
13
-0.01415
0.06844
0.00000
14
-0.02806
0.02950
0.00000
15
0.03094
0.04102
0.00000
16
-0.03094
-0.04102
0.00000
17
-0.06318
-0.01631
0.00000
18
0.06318
0.01631
0.00000
19
-0.08240
0.00217
0.00000
20
0.08240
-0.00217
0.00000
21
-0.04582
0.01494
0.00000
22
0.04582
-0.01494
0.00000
23
0.08586
0.08830
0.00000
24
-0.08586
-0.08830
0.00000
25
-0.10732
-0.05326
0.00000
26
0.10732
0.05326
0.00000
27
-0.08786
0.00476
0.00000
28
0.08786
-0.00476
0.00000
29
-0.01838
0.10150
0.00000
30
0.01838
-0.10150
0.00000
31
-0.05762
0.06677
0.00000
32
0.05762
-0.06677
0.00000
33
-0.05961
0.09355
0.00000
34
0.05961
-0.09355
0.00000