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
-0.05180
-0.02880
0.00000
2
0.05180
0.02880
0.00000
3
-0.01863
-0.02263
0.00000
4
0.10546
0.03756
0.00000
5
-0.10546
-0.03756
0.00000
6
0.01863
0.02263
0.00000
7
0.00320
0.00934
0.00000
8
0.08156
0.06649
0.00000
9
-0.08155
-0.06649
0.00000
10
-0.00319
-0.00934
0.00000
11
0.00475
0.00312
0.00000
12
0.07484
-0.02030
0.00000
13
-0.07485
0.02029
0.00000
14
-0.00476
-0.00312
0.00000
15
-0.00899
0.01536
0.00000
16
0.00898
-0.01536
0.00000
17
0.03057
0.01301
0.00000
18
-0.03057
-0.01301
0.00000
19
0.02863
0.03529
0.00000
20
-0.02863
-0.03530
0.00000
21
0.00606
0.01939
0.00000
22
-0.00605
-0.01938
0.00000
23
0.01337
0.03684
0.00000
24
-0.01337
-0.03684
0.00000
25
0.02793
0.01132
0.00000
26
-0.02793
-0.01132
0.00000
27
0.02861
0.03586
0.00000
28
-0.02862
-0.03586
0.00000
29
-0.08997
0.08561
0.00000
30
0.08996
-0.08561
0.00000
31
-0.06888
-0.13630
0.00000
32
0.06888
0.13630
0.00000
33
0.01126
-0.00242
0.00000
34
-0.01125
0.00243
0.00000