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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 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
0.02500
-0.03111
0.00000
2
-0.02500
0.03111
0.00000
3
0.03402
-0.03480
0.00000
4
-0.02136
0.04283
0.00000
5
0.02136
-0.04283
0.00000
6
-0.03402
0.03480
0.00000
7
-0.00092
0.03422
0.00000
8
-0.01100
-0.00129
0.00000
9
0.01100
0.00129
0.00000
10
0.00092
-0.03422
0.00000
11
-0.01289
-0.00395
0.00000
12
0.01308
-0.02622
0.00000
13
-0.01308
0.02622
0.00000
14
0.01289
0.00395
0.00000
15
-0.00948
-0.01271
0.00000
16
0.00948
0.01271
0.00000
17
-0.00213
0.01203
0.00000
18
0.00213
-0.01204
0.00000
19
-0.01329
0.00210
0.00000
20
0.01328
-0.00210
0.00000
21
-0.00791
-0.01351
0.00000
22
0.00791
0.01351
0.00000
23
-0.14557
-0.13177
0.00000
24
0.14555
0.13175
0.00000
25
0.13793
0.13591
0.00000
26
-0.13793
-0.13591
0.00000
27
-0.15983
0.04955
0.00000
28
0.15980
-0.04954
0.00000
29
-0.08528
0.35932
0.00000
30
0.08528
-0.35931
0.00000
31
-0.04251
0.26296
0.00000
32
0.04250
-0.26294
0.00000
33
0.04302
-0.26610
0.00000
34
-0.04302
0.26610
0.00000