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
0.02821
0.03605
0.00000
2
-0.02821
-0.03605
0.00000
3
0.03297
0.04544
0.00000
4
-0.02147
-0.04362
0.00000
5
0.02147
0.04362
0.00000
6
-0.03297
-0.04544
0.00000
7
0.06612
0.02951
0.00000
8
-0.00551
-0.04302
0.00000
9
0.00551
0.04302
0.00000
10
-0.06612
-0.02951
0.00000
11
-0.05393
-0.00181
0.00000
12
0.05725
0.00810
0.00000
13
-0.05725
-0.00810
0.00000
14
0.05393
0.00181
0.00000
15
-0.08958
0.00271
0.00000
16
0.08958
-0.00271
0.00000
17
-0.01280
-0.02133
0.00000
18
0.01280
0.02133
0.00000
19
0.00210
-0.01557
0.00000
20
-0.00210
0.01557
0.00000
21
0.08029
0.04100
0.00000
22
-0.08029
-0.04100
0.00000
23
-0.09148
0.00259
0.00000
24
0.09148
-0.00259
0.00000
25
0.01743
0.00577
0.00000
26
-0.01743
-0.00577
0.00000
27
-0.05411
0.00592
0.00000
28
0.05411
-0.00592
0.00000
29
-0.04582
-0.07292
0.00000
30
0.04582
0.07292
0.00000
31
-0.00697
0.10542
0.00000
32
0.00697
-0.10542
0.00000
33
0.07228
0.08949
0.00000
34
-0.07228
-0.08949
0.00000