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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.03661
2
0.00000
0.00000
-0.03661
3
0.00000
0.00000
0.00899
4
0.00000
0.00000
-0.05730
5
0.00000
0.00000
0.05730
6
0.00000
0.00000
-0.00899
7
0.00000
0.00000
0.02452
8
0.00000
0.00000
0.08329
9
0.00000
0.00000
-0.08329
10
0.00000
0.00000
-0.02452
11
0.00000
0.00000
-0.05571
12
0.00000
0.00000
-0.08399
13
0.00000
0.00000
0.08399
14
0.00000
0.00000
0.05571
15
0.00000
0.00000
-0.07907
16
0.00000
0.00000
0.07907
17
0.00000
0.00000
0.03824
18
0.00000
0.00000
-0.03824
19
0.00000
0.00000
0.02014
20
0.00000
0.00000
-0.02014
21
0.00000
0.00000
-0.05960
22
0.00000
0.00000
0.05960
23
0.00000
0.00000
-0.13959
24
0.00000
0.00000
0.13959
25
0.00000
0.00000
0.10833
26
0.00000
0.00000
-0.10833
27
0.00000
0.00000
0.05157
28
0.00000
0.00000
-0.05157
29
0.00000
0.00000
0.12956
30
0.00000
0.00000
-0.12956
31
0.00000
0.00000
-0.15601
32
0.00000
0.00000
0.15601
33
0.00000
0.00000
-0.12420
34
0.00000
0.00000
0.12420