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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.07300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03434
2
0.00000
0.00000
-0.03434
3
0.00000
0.00000
-0.01713
4
0.00000
0.00000
-0.02786
5
0.00000
0.00000
-0.02786
6
0.00000
0.00000
-0.01713
7
0.00000
0.00000
-0.06215
8
0.00000
0.00000
-0.07228
9
0.00000
0.00000
-0.07228
10
0.00000
0.00000
-0.06215
11
0.00000
0.00000
0.05356
12
0.00000
0.00000
0.04439
13
0.00000
0.00000
0.04439
14
0.00000
0.00000
0.05356
15
0.00000
0.00000
0.09590
16
0.00000
0.00000
0.09590
17
0.00000
0.00000
0.07399
18
0.00000
0.00000
0.07399
19
0.00000
0.00000
0.00262
20
0.00000
0.00000
0.00262
21
0.00000
0.00000
-0.07077
22
0.00000
0.00000
-0.07077
23
0.00000
0.00000
0.15992
24
0.00000
0.00000
0.15992
25
0.00000
0.00000
0.13448
26
0.00000
0.00000
0.13448
27
0.00000
0.00000
0.00712
28
0.00000
0.00000
0.00712
29
0.00000
0.00000
0.06735
30
0.00000
0.00000
0.06735
31
0.00000
0.00000
-0.08401
32
0.00000
0.00000
-0.08401
33
0.00000
0.00000
-0.11758
34
0.00000
0.00000
-0.11758