Charge: 0
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
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)
-0.28600
Diff mu Y
(Debye)
0.04600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05190
-0.03883
0.00000
2
-0.05190
-0.03883
0.00000
3
0.02108
0.04816
0.00000
4
0.04734
-0.06900
0.00000
5
0.04734
-0.06900
0.00000
6
0.02108
0.04816
0.00000
7
-0.00014
0.09084
0.00000
8
0.02692
-0.01991
0.00000
9
0.02692
-0.01991
0.00000
10
-0.00014
0.09085
0.00000
11
0.02732
-0.02680
0.00000
12
-0.01328
0.00321
0.00000
13
-0.01328
0.00320
0.00000
14
0.02732
-0.02680
0.00000
15
-0.02967
0.00957
0.00000
16
-0.02967
0.00957
0.00000
17
0.01239
0.01051
0.00000
18
0.01239
0.01051
0.00000
19
-0.02575
-0.01301
0.00000
20
-0.02575
-0.01301
0.00000
21
-0.01150
-0.01331
0.00000
22
-0.01150
-0.01331
0.00000
23
-0.04669
-0.00142
0.00000
24
-0.04670
-0.00142
0.00000
25
-0.01760
-0.01796
0.00000
26
-0.01761
-0.01796
0.00000
27
0.09653
-0.05561
0.00000
28
0.09653
-0.05561
0.00000
29
-0.07107
0.25653
0.00000
30
-0.07107
0.25653
0.00000
31
-0.01540
0.22314
0.00000
32
-0.01540
0.22313
0.00000
33
0.02107
-0.18347
0.00000
34
0.02107
-0.18348
0.00000