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)
0.13900
Diff mu Y
(Debye)
0.10400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01153
0.01182
0.00000
2
-0.01153
0.01182
0.00000
3
0.00096
-0.02502
0.00000
4
0.01091
0.05185
0.00000
5
0.01091
0.05184
0.00000
6
0.00096
-0.02502
0.00000
7
-0.03325
-0.02313
0.00000
8
0.06480
0.05851
0.00000
9
0.06479
0.05851
0.00000
10
-0.03325
-0.02313
0.00000
11
0.03330
-0.01502
0.00000
12
-0.07339
-0.03171
0.00000
13
-0.07339
-0.03171
0.00000
14
0.03330
-0.01502
0.00000
15
0.00879
-0.05744
0.00000
16
0.00879
-0.05744
0.00000
17
0.03642
0.01843
0.00000
18
0.03641
0.01843
0.00000
19
0.03315
0.05291
0.00000
20
0.03315
0.05291
0.00000
21
-0.07666
-0.03630
0.00000
22
-0.07666
-0.03631
0.00000
23
0.03945
-0.03011
0.00000
24
0.03945
-0.03011
0.00000
25
0.00682
-0.00685
0.00000
26
0.00682
-0.00684
0.00000
27
0.10813
0.02786
0.00000
28
0.10813
0.02786
0.00000
29
-0.06827
-0.05337
0.00000
30
-0.06827
-0.05337
0.00000
31
0.05157
0.12208
0.00000
32
0.05157
0.12208
0.00000
33
-0.06019
-0.11770
0.00000
34
-0.06019
-0.11770
0.00000