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)
-844.57197
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)
-0.12500
Diff mu Y
(Debye)
0.15800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02405
-0.00723
0.00000
2
-0.02405
-0.00723
0.00000
3
0.08077
-0.01346
0.00000
4
-0.03651
0.02619
0.00000
5
-0.03651
0.02619
0.00000
6
0.08077
-0.01346
0.00000
7
0.04455
0.04924
0.00000
8
-0.04274
0.02333
0.00000
9
-0.04274
0.02333
0.00000
10
0.04455
0.04924
0.00000
11
0.01081
-0.00342
0.00000
12
0.04791
-0.01348
0.00000
13
0.04791
-0.01348
0.00000
14
0.01081
-0.00342
0.00000
15
-0.04112
-0.00333
0.00000
16
-0.04112
-0.00333
0.00000
17
0.03846
0.00035
0.00000
18
0.03846
0.00035
0.00000
19
-0.00104
-0.03917
0.00000
20
-0.00104
-0.03917
0.00000
21
-0.08216
-0.00159
0.00000
22
-0.08216
-0.00159
0.00000
23
-0.17506
-0.12496
0.00000
24
-0.17506
-0.12496
0.00000
25
0.14442
0.09148
0.00000
26
0.14442
0.09148
0.00000
27
0.15089
-0.09368
0.00000
28
0.15089
-0.09368
0.00000
29
0.05855
-0.05449
0.00000
30
0.05855
-0.05449
0.00000
31
-0.01830
-0.09170
0.00000
32
-0.01830
-0.09170
0.00000
33
-0.09946
0.06595
0.00000
34
-0.09946
0.06595
0.00000