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
0.11900
2
0.00000
0.00000
-0.11900
3
0.00000
0.00000
-0.09124
4
0.00000
0.00000
0.07343
5
0.00000
0.00000
-0.07343
6
0.00000
0.00000
0.09124
7
0.00000
0.00000
0.03478
8
0.00000
0.00000
0.00414
9
0.00000
0.00000
-0.00414
10
0.00000
0.00000
-0.03478
11
0.00000
0.00000
0.02883
12
0.00000
0.00000
-0.03983
13
0.00000
0.00000
0.03983
14
0.00000
0.00000
-0.02883
15
0.00000
0.00000
0.00703
16
0.00000
0.00000
-0.00703
17
0.00000
0.00000
-0.00437
18
0.00000
0.00000
0.00437
19
0.00000
0.00000
0.02070
20
0.00000
0.00000
-0.02070
21
0.00000
0.00000
-0.00379
22
0.00000
0.00000
0.00379
23
0.00000
0.00000
-0.17922
24
0.00000
0.00000
0.17922
25
0.00000
0.00000
-0.08639
26
0.00000
0.00000
0.08639
27
0.00000
0.00000
-0.05225
28
0.00000
0.00000
0.05225
29
0.00000
0.00000
-0.10953
30
0.00000
0.00000
0.10953
31
0.00000
0.00000
0.23326
32
0.00000
0.00000
-0.23326
33
0.00000
0.00000
-0.07735
34
0.00000
0.00000
0.07735