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)
0.05900
Diff mu Y
(Debye)
0.06100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00001
0.00001
0.00000
2
-0.00001
0.00001
0.00000
3
0.00040
0.00050
0.00000
4
0.00001
0.00017
0.00000
5
0.00001
0.00017
0.00000
6
0.00040
0.00050
0.00000
7
0.00029
0.00135
0.00000
8
-0.00421
-0.00101
0.00000
9
-0.00421
-0.00101
0.00000
10
0.00029
0.00135
0.00000
11
0.00062
0.00095
0.00000
12
0.00530
0.00092
0.00000
13
0.00530
0.00092
0.00000
14
0.00062
0.00095
0.00000
15
-0.00482
0.00498
0.00000
16
-0.00482
0.00498
0.00000
17
0.02129
-0.02420
0.00000
18
0.02131
-0.02422
0.00000
19
0.00510
0.01378
0.00000
20
0.00510
0.01379
0.00000
21
-0.04529
-0.00969
0.00000
22
-0.04532
-0.00970
0.00000
23
0.05212
-0.05988
0.00000
24
0.05215
-0.05991
0.00000
25
-0.24202
0.27277
0.00000
26
-0.24222
0.27299
0.00000
27
-0.05720
-0.17232
0.00000
28
-0.05724
-0.17246
0.00000
29
-0.06162
-0.01248
0.00000
30
-0.06164
-0.01248
0.00000
31
0.04918
0.00854
0.00000
32
0.04913
0.00853
0.00000
33
0.51330
0.10910
0.00000
34
0.51370
0.10919
0.00000