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
0.00041
-0.00411
0.00000
2
-0.00040
0.00412
0.00000
3
-0.03698
0.01526
0.00000
4
-0.02969
0.04899
0.00000
5
0.02970
-0.04899
0.00000
6
0.03697
-0.01525
0.00000
7
-0.04460
0.02001
0.00000
8
-0.05090
0.04442
0.00000
9
0.05090
-0.04442
0.00000
10
0.04459
-0.02001
0.00000
11
-0.02403
0.02288
0.00000
12
-0.01993
0.07707
0.00000
13
0.01994
-0.07709
0.00000
14
0.02402
-0.02287
0.00000
15
-0.02588
-0.05322
0.00000
16
0.02587
0.05322
0.00000
17
0.06119
0.01222
0.00000
18
-0.06119
-0.01222
0.00000
19
0.08065
-0.00494
0.00000
20
-0.08064
0.00493
0.00000
21
0.04697
-0.02020
0.00000
22
-0.04696
0.02019
0.00000
23
-0.07947
-0.09957
0.00000
24
0.07944
0.09955
0.00000
25
0.10529
0.05197
0.00000
26
-0.10528
-0.05195
0.00000
27
0.09109
-0.00826
0.00000
28
-0.09108
0.00825
0.00000
29
0.02577
-0.10626
0.00000
30
-0.02576
0.10624
0.00000
31
0.05520
-0.06098
0.00000
32
-0.05520
0.06098
0.00000
33
0.06162
-0.09297
0.00000
34
-0.06162
0.09296
0.00000