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)
0.20000
Diff mu Y
(Debye)
0.12300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01276
0.00981
0.00000
2
0.01276
0.00981
0.00000
3
-0.05769
0.00429
0.00000
4
-0.00446
0.01242
0.00000
5
-0.00446
0.01242
0.00000
6
-0.05770
0.00429
0.00000
7
-0.00098
0.05628
0.00000
8
0.01835
-0.00725
0.00000
9
0.01835
-0.00725
0.00000
10
-0.00098
0.05628
0.00000
11
-0.06504
-0.06345
0.00000
12
0.01626
-0.00885
0.00000
13
0.01626
-0.00885
0.00000
14
-0.06504
-0.06345
0.00000
15
0.03471
-0.00023
0.00000
16
0.03471
-0.00023
0.00000
17
-0.01594
0.01167
0.00000
18
-0.01594
0.01167
0.00000
19
0.02468
-0.00278
0.00000
20
0.02468
-0.00278
0.00000
21
-0.01352
0.00465
0.00000
22
-0.01352
0.00465
0.00000
23
0.24102
0.17666
0.00000
24
0.24102
0.17666
0.00000
25
-0.01220
0.02075
0.00000
26
-0.01221
0.02074
0.00000
27
0.29288
-0.09007
0.00000
28
0.29289
-0.09008
0.00000
29
0.02996
-0.06151
0.00000
30
0.02996
-0.06152
0.00000
31
0.07800
-0.28424
0.00000
32
0.07800
-0.28424
0.00000
33
-0.02365
0.04113
0.00000
34
-0.02365
0.04114
0.00000