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)
0.21500
Diff mu Y
(Debye)
1.22100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02267
-0.08282
0.00000
2
0.02267
-0.08282
0.00000
3
-0.00357
-0.05282
0.00000
4
0.00550
-0.01928
0.00000
5
0.00550
-0.01928
0.00000
6
-0.00357
-0.05282
0.00000
7
0.03419
-0.03339
0.00000
8
0.05812
-0.03981
0.00000
9
0.05812
-0.03981
0.00000
10
0.03419
-0.03339
0.00000
11
-0.02451
0.01464
0.00000
12
-0.02818
0.02061
0.00000
13
-0.02818
0.02061
0.00000
14
-0.02451
0.01464
0.00000
15
-0.08344
0.06314
0.00000
16
-0.08344
0.06314
0.00000
17
0.01533
0.03949
0.00000
18
0.01533
0.03949
0.00000
19
0.02049
0.06902
0.00000
20
0.02049
0.06902
0.00000
21
-0.01565
0.01775
0.00000
22
-0.01565
0.01775
0.00000
23
-0.09722
0.05212
0.00000
24
-0.09722
0.05212
0.00000
25
0.01211
0.03573
0.00000
26
0.01211
0.03573
0.00000
27
0.04426
0.06304
0.00000
28
0.04426
0.06304
0.00000
29
-0.02105
-0.04633
0.00000
30
-0.02105
-0.04633
0.00000
31
0.06960
-0.10317
0.00000
32
0.06960
-0.10317
0.00000
33
-0.01898
0.03995
0.00000
34
-0.01898
0.03995
0.00000