Charge: 2
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+2
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)
0.04900
Diff mu Y
(Debye)
1.02000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01737
-0.08033
0.00000
2
0.01737
-0.08033
0.00000
3
-0.00104
-0.05964
0.00000
4
0.00561
-0.00325
0.00000
5
0.00561
-0.00325
0.00000
6
-0.00104
-0.05963
0.00000
7
0.03269
-0.03775
0.00000
8
0.07950
-0.01980
0.00000
9
0.07950
-0.01980
0.00000
10
0.03269
-0.03775
0.00000
11
-0.02341
0.00440
0.00000
12
-0.03481
0.01930
0.00000
13
-0.03481
0.01929
0.00000
14
-0.02341
0.00440
0.00000
15
-0.08015
0.05646
0.00000
16
-0.08015
0.05646
0.00000
17
0.01301
0.04587
0.00000
18
0.01301
0.04587
0.00000
19
0.01833
0.06347
0.00000
20
0.01832
0.06347
0.00000
21
-0.02876
0.00663
0.00000
22
-0.02876
0.00663
0.00000
23
-0.08369
0.05819
0.00000
24
-0.08369
0.05820
0.00000
25
0.00545
0.04231
0.00001
26
0.00545
0.04231
0.00001
27
0.06032
0.05226
0.00001
28
0.06032
0.05225
0.00001
29
-0.02608
-0.03659
0.00000
30
-0.02608
-0.03659
0.00000
31
0.09085
-0.06436
0.00000
32
0.09085
-0.06436
0.00000
33
-0.02699
0.00345
0.00001
34
-0.02699
0.00345
0.00001