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)
0.23500
Diff mu Y
(Debye)
-0.03400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00047
0.00031
0.00000
2
0.00048
0.00032
0.00000
3
0.00047
-0.00010
0.00000
4
0.00020
0.00204
0.00000
5
0.00019
0.00198
0.00000
6
0.00046
-0.00010
0.00000
7
0.00124
-0.00222
0.00000
8
-0.05863
-0.01168
0.00000
9
-0.05703
-0.01136
0.00000
10
0.00121
-0.00216
0.00000
11
-0.00005
-0.00009
0.00000
12
0.00364
0.00053
0.00000
13
0.00354
0.00050
0.00000
14
-0.00004
-0.00009
0.00000
15
-0.00072
0.00083
0.00000
16
-0.00074
0.00085
0.00000
17
0.00005
0.00008
0.00000
18
0.00006
0.00007
0.00000
19
-0.00049
-0.00074
0.00000
20
-0.00048
-0.00072
0.00000
21
0.00586
0.00132
0.00000
22
0.00570
0.00128
0.00000
23
0.00925
-0.01062
0.00000
24
0.00953
-0.01093
0.00000
25
-0.00003
0.00004
0.00000
26
-0.00012
0.00014
0.00000
27
0.00383
0.01162
0.00000
28
0.00372
0.01127
0.00000
29
-0.03922
-0.00950
0.00000
30
-0.04038
-0.00978
0.00000
31
0.64612
0.13320
0.00000
32
0.66418
0.13693
0.00000
33
-0.06613
-0.01230
0.00000
34
-0.06436
-0.01197
0.00000