Charge: 2
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+2
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)
0.33700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00045
2
0.00000
0.00000
-0.00045
3
0.00000
0.00000
-0.00334
4
0.00000
0.00000
0.01555
5
0.00000
0.00000
0.01555
6
0.00000
0.00000
-0.00334
7
0.00000
0.00000
-0.04176
8
0.00000
0.00000
0.02497
9
0.00000
0.00000
0.02497
10
0.00000
0.00000
-0.04176
11
0.00000
0.00000
0.05372
12
0.00000
0.00000
-0.03351
13
0.00000
0.00000
-0.03351
14
0.00000
0.00000
0.05372
15
0.00000
0.00000
-0.03796
16
0.00000
0.00000
-0.03796
17
0.00000
0.00000
-0.06520
18
0.00000
0.00000
-0.06520
19
0.00000
0.00000
0.00175
20
0.00000
0.00000
0.00175
21
0.00000
0.00000
0.06277
22
0.00000
0.00000
0.06277
23
0.00000
0.00000
0.15671
24
0.00000
0.00000
0.15671
25
0.00000
0.00000
0.32285
26
0.00000
0.00000
0.32285
27
0.00000
0.00000
-0.00493
28
0.00000
0.00000
-0.00493
29
0.00000
0.00000
0.23998
30
0.00000
0.00000
0.23998
31
0.00000
0.00000
-0.11452
32
0.00000
0.00000
-0.11452
33
0.00000
0.00000
-0.32085
34
0.00000
0.00000
-0.32085