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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.00026
2
0.00000
0.00000
-0.00026
3
0.00000
0.00000
-0.00235
4
0.00000
0.00000
-0.00723
5
0.00000
0.00000
0.00723
6
0.00000
0.00000
0.00235
7
0.00000
0.00000
-0.01069
8
0.00000
0.00000
0.01361
9
0.00000
0.00000
-0.01361
10
0.00000
0.00000
0.01069
11
0.00000
0.00000
-0.01507
12
0.00000
0.00000
0.01775
13
0.00000
0.00000
-0.01775
14
0.00000
0.00000
0.01507
15
0.00000
0.00000
0.02196
16
0.00000
0.00000
-0.02197
17
0.00000
0.00000
0.06133
18
0.00000
0.00000
-0.06135
19
0.00000
0.00000
-0.08276
20
0.00000
0.00000
0.08279
21
0.00000
0.00000
0.04784
22
0.00000
0.00000
-0.04785
23
0.00000
0.00000
-0.10557
24
0.00000
0.00000
0.10560
25
0.00000
0.00000
-0.29363
26
0.00000
0.00000
0.29372
27
0.00000
0.00000
0.40982
28
0.00000
0.00000
-0.40995
29
0.00000
0.00000
0.08363
30
0.00000
0.00000
-0.08365
31
0.00000
0.00000
0.06184
32
0.00000
0.00000
-0.06183
33
0.00000
0.00000
-0.22311
34
0.00000
0.00000
0.22318