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)
-844.54925
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
-0.06438
2
0.00000
0.00000
0.06438
3
0.00000
0.00000
-0.10890
4
0.00000
0.00000
0.07570
5
0.00000
0.00000
-0.07570
6
0.00000
0.00000
0.10890
7
0.00000
0.00000
-0.03951
8
0.00000
0.00000
0.05486
9
0.00000
0.00000
-0.05486
10
0.00000
0.00000
0.03951
11
0.00000
0.00000
-0.05423
12
0.00000
0.00000
-0.02659
13
0.00000
0.00000
0.02659
14
0.00000
0.00000
0.05423
15
0.00000
0.00000
0.07024
16
0.00000
0.00000
-0.07024
17
0.00000
0.00000
0.00281
18
0.00000
0.00000
-0.00281
19
0.00000
0.00000
0.01501
20
0.00000
0.00000
-0.01500
21
0.00000
0.00000
-0.00470
22
0.00000
0.00000
0.00470
23
0.00000
0.00000
0.20948
24
0.00000
0.00000
-0.20948
25
0.00000
0.00000
0.07206
26
0.00000
0.00000
-0.07205
27
0.00000
0.00000
0.06934
28
0.00000
0.00000
-0.06933
29
0.00000
0.00000
0.12358
30
0.00000
0.00000
-0.12358
31
0.00000
0.00000
-0.08087
32
0.00000
0.00000
0.08088
33
0.00000
0.00000
0.04495
34
0.00000
0.00000
-0.04496