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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
-0.09900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03178
2
0.00000
0.00000
-0.03178
3
0.00000
0.00000
0.06303
4
0.00000
0.00000
0.05476
5
0.00000
0.00000
0.05476
6
0.00000
0.00000
0.06303
7
0.00000
0.00000
-0.06160
8
0.00000
0.00000
0.00453
9
0.00000
0.00000
0.00453
10
0.00000
0.00000
-0.06160
11
0.00000
0.00000
-0.04828
12
0.00000
0.00000
-0.05280
13
0.00000
0.00000
-0.05280
14
0.00000
0.00000
-0.04828
15
0.00000
0.00000
-0.01975
16
0.00000
0.00000
-0.01975
17
0.00000
0.00000
0.04587
18
0.00000
0.00000
0.04587
19
0.00000
0.00000
0.00920
20
0.00000
0.00000
0.00920
21
0.00000
0.00000
0.04216
22
0.00000
0.00000
0.04216
23
0.00000
0.00000
0.31052
24
0.00000
0.00000
0.31052
25
0.00000
0.00000
-0.17240
26
0.00000
0.00000
-0.17240
27
0.00000
0.00000
-0.26462
28
0.00000
0.00000
-0.26462
29
0.00000
0.00000
0.18485
30
0.00000
0.00000
0.18485
31
0.00000
0.00000
-0.01056
32
0.00000
0.00000
-0.01056
33
0.00000
0.00000
-0.11138
34
0.00000
0.00000
-0.11138