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)
-844.54925
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
0.09756
2
0.00000
0.00000
-0.09756
3
0.00000
0.00000
0.05619
4
0.00000
0.00000
0.06695
5
0.00000
0.00000
-0.06694
6
0.00000
0.00000
-0.05619
7
0.00000
0.00000
-0.07283
8
0.00000
0.00000
-0.01163
9
0.00000
0.00000
0.01163
10
0.00000
0.00000
0.07283
11
0.00000
0.00000
-0.04301
12
0.00000
0.00000
-0.00197
13
0.00000
0.00000
0.00197
14
0.00000
0.00000
0.04301
15
0.00000
0.00000
-0.02696
16
0.00000
0.00000
0.02696
17
0.00000
0.00000
0.04029
18
0.00000
0.00000
-0.04029
19
0.00000
0.00000
-0.05951
20
0.00000
0.00000
0.05951
21
0.00000
0.00000
0.03850
22
0.00000
0.00000
-0.03850
23
0.00000
0.00000
0.10765
24
0.00000
0.00000
-0.10765
25
0.00000
0.00000
0.16519
26
0.00000
0.00000
-0.16519
27
0.00000
0.00000
0.00014
28
0.00000
0.00000
-0.00014
29
0.00000
0.00000
0.17584
30
0.00000
0.00000
-0.17584
31
0.00000
0.00000
-0.00311
32
0.00000
0.00000
0.00310
33
0.00000
0.00000
0.21769
34
0.00000
0.00000
-0.21769