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
0.00045
2
0.00000
0.00000
-0.00045
3
0.00000
0.00000
0.00025
4
0.00000
0.00000
-0.01909
5
0.00000
0.00000
0.01910
6
0.00000
0.00000
-0.00024
7
0.00000
0.00000
0.00008
8
0.00000
0.00000
0.01517
9
0.00000
0.00000
-0.01518
10
0.00000
0.00000
-0.00008
11
0.00000
0.00000
-0.01876
12
0.00000
0.00000
0.07559
13
0.00000
0.00000
-0.07560
14
0.00000
0.00000
0.01876
15
0.00000
0.00000
0.07662
16
0.00000
0.00000
-0.07661
17
0.00000
0.00000
0.00403
18
0.00000
0.00000
-0.00403
19
0.00000
0.00000
0.02622
20
0.00000
0.00000
-0.02622
21
0.00000
0.00000
-0.02494
22
0.00000
0.00000
0.02493
23
0.00000
0.00000
-0.38380
24
0.00000
0.00000
0.38376
25
0.00000
0.00000
-0.01651
26
0.00000
0.00000
0.01649
27
0.00000
0.00000
-0.14476
28
0.00000
0.00000
0.14475
29
0.00000
0.00000
0.37822
30
0.00000
0.00000
-0.37818
31
0.00000
0.00000
0.06268
32
0.00000
0.00000
-0.06265
33
0.00000
0.00000
0.12505
34
0.00000
0.00000
-0.12502