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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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
0.00000
0.00000
-0.05454
2
0.00000
0.00000
0.05454
3
0.00000
0.00000
0.00655
4
0.00000
0.00000
0.04198
5
0.00000
0.00000
-0.04198
6
0.00000
0.00000
-0.00655
7
0.00000
0.00000
-0.09104
8
0.00000
0.00000
0.03144
9
0.00000
0.00000
-0.03144
10
0.00000
0.00000
0.09104
11
0.00000
0.00000
0.11370
12
0.00000
0.00000
-0.06551
13
0.00000
0.00000
0.06551
14
0.00000
0.00000
-0.11370
15
0.00000
0.00000
-0.05663
16
0.00000
0.00000
0.05663
17
0.00000
0.00000
-0.01146
18
0.00000
0.00000
0.01147
19
0.00000
0.00000
0.00062
20
0.00000
0.00000
-0.00062
21
0.00000
0.00000
0.00949
22
0.00000
0.00000
-0.00949
23
0.00000
0.00000
-0.20255
24
0.00000
0.00000
0.20255
25
0.00000
0.00000
-0.14523
26
0.00000
0.00000
0.14523
27
0.00000
0.00000
0.00193
28
0.00000
0.00000
-0.00193
29
0.00000
0.00000
0.07654
30
0.00000
0.00000
-0.07654
31
0.00000
0.00000
-0.05986
32
0.00000
0.00000
0.05986
33
0.00000
0.00000
0.10641
34
0.00000
0.00000
-0.10641