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)
0.08700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.08946
2
0.00000
0.00000
0.08946
3
0.00000
0.00000
0.00189
4
0.00000
0.00000
0.04292
5
0.00000
0.00000
0.04292
6
0.00000
0.00000
0.00189
7
0.00000
0.00000
-0.06291
8
0.00000
0.00000
-0.08911
9
0.00000
0.00000
-0.08911
10
0.00000
0.00000
-0.06291
11
0.00000
0.00000
-0.05715
12
0.00000
0.00000
0.05797
13
0.00000
0.00000
0.05797
14
0.00000
0.00000
-0.05715
15
0.00000
0.00000
-0.02397
16
0.00000
0.00000
-0.02397
17
0.00000
0.00000
-0.04125
18
0.00000
0.00000
-0.04125
19
0.00000
0.00000
0.06850
20
0.00000
0.00000
0.06850
21
0.00000
0.00000
0.00982
22
0.00000
0.00000
0.00982
23
0.00000
0.00000
-0.03970
24
0.00000
0.00000
-0.03970
25
0.00000
0.00000
-0.05974
26
0.00000
0.00000
-0.05974
27
0.00000
0.00000
0.16949
28
0.00000
0.00000
0.16949
29
0.00000
0.00000
0.09582
30
0.00000
0.00000
0.09582
31
0.00000
0.00000
-0.16937
32
0.00000
0.00000
-0.16937
33
0.00000
0.00000
0.04918
34
0.00000
0.00000
0.04918