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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00264
0.01293
0.00000
2
-0.00264
-0.01293
0.00000
3
0.02285
-0.01147
0.00000
4
0.01238
-0.04826
0.00000
5
-0.01237
0.04826
0.00000
6
-0.02285
0.01147
0.00000
7
-0.01196
-0.02353
0.00000
8
-0.04981
-0.06169
0.00000
9
0.04982
0.06170
0.00000
10
0.01195
0.02353
0.00000
11
0.03791
-0.02182
0.00000
12
0.10332
0.03186
0.00000
13
-0.10333
-0.03186
0.00000
14
-0.03791
0.02182
0.00000
15
0.01984
-0.07285
0.00000
16
-0.01983
0.07284
0.00000
17
0.02055
0.03201
0.00000
18
-0.02055
-0.03200
0.00000
19
0.02091
0.07473
0.00000
20
-0.02091
-0.07473
0.00000
21
-0.03875
-0.00272
0.00000
22
0.03874
0.00271
0.00000
23
0.06702
-0.03189
0.00000
24
-0.06701
0.03188
0.00000
25
-0.02167
-0.00398
0.00000
26
0.02167
0.00398
0.00000
27
0.06366
0.06315
0.00000
28
-0.06365
-0.06315
0.00000
29
-0.10598
-0.02756
0.00000
30
0.10598
0.02755
0.00000
31
0.04887
0.07479
0.00000
32
-0.04886
-0.07476
0.00000
33
-0.02991
-0.04381
0.00000
34
0.02990
0.04380
0.00000