Charge: 0
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
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)
1.46600
Diff mu Y
(Debye)
-0.13000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00316
-0.04002
0.00000
2
0.00316
-0.04002
0.00000
3
0.03970
0.06068
0.00000
4
-0.03684
0.01886
0.00000
5
-0.03684
0.01886
0.00000
6
0.03970
0.06068
0.00000
7
-0.06283
-0.01860
0.00000
8
0.01953
0.01783
0.00000
9
0.01953
0.01783
0.00000
10
-0.06283
-0.01860
0.00000
11
0.02891
0.00033
0.00000
12
0.02282
-0.04667
0.00000
13
0.02282
-0.04667
0.00000
14
0.02891
0.00033
0.00000
15
-0.02988
0.00970
0.00000
16
-0.02988
0.00970
0.00000
17
0.01135
-0.03003
0.00000
18
0.01135
-0.03003
0.00000
19
-0.08181
0.04940
0.00000
20
-0.08182
0.04941
0.00000
21
0.05122
-0.04284
0.00000
22
0.05122
-0.04284
0.00000
23
0.02209
0.06080
0.00000
24
0.02209
0.06080
0.00000
25
0.12336
0.06129
0.00000
26
0.12336
0.06129
0.00000
27
0.21469
-0.04350
0.00000
28
0.21469
-0.04350
0.00000
29
-0.00936
0.11919
0.00000
30
-0.00936
0.11920
0.00000
31
0.03786
-0.06518
0.00000
32
0.03786
-0.06519
0.00000
33
0.02425
0.12170
0.00000
34
0.02425
0.12170
0.00000