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)
0.86600
Diff mu Y
(Debye)
-0.09500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02619
0.00222
0.00000
2
0.02619
0.00222
0.00000
3
-0.05212
0.01496
0.00000
4
-0.02269
-0.01300
0.00000
5
-0.02268
-0.01300
0.00000
6
-0.05212
0.01495
0.00000
7
0.03376
0.00312
0.00000
8
0.00608
-0.02430
0.00000
9
0.00608
-0.02430
0.00000
10
0.03376
0.00313
0.00000
11
0.01615
-0.02535
0.00000
12
-0.02597
0.04646
0.00000
13
-0.02597
0.04646
0.00000
14
0.01615
-0.02535
0.00000
15
0.04647
0.01688
0.00000
16
0.04647
0.01688
0.00000
17
-0.00559
-0.02464
0.00000
18
-0.00559
-0.02464
0.00000
19
-0.05520
0.02297
0.00000
20
-0.05519
0.02296
0.00000
21
0.01078
0.01400
0.00000
22
0.01078
0.01400
0.00000
23
-0.18182
-0.19073
0.00000
24
-0.18181
-0.19072
0.00000
25
0.15560
0.11306
0.00000
26
0.15559
0.11305
0.00000
27
0.23945
-0.07319
0.00000
28
0.23944
-0.07319
0.00000
29
0.03463
-0.26825
0.00000
30
0.03463
-0.26825
0.00000
31
-0.03376
0.16935
0.00000
32
-0.03376
0.16935
0.00000
33
0.04932
-0.14692
0.00000
34
0.04932
-0.14691
0.00000