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)
-0.05700
Diff mu Y
(Debye)
0.31200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02968
-0.03939
0.00000
2
-0.02968
-0.03939
0.00000
3
0.03322
-0.05874
0.00000
4
-0.05340
0.02707
0.00000
5
-0.05339
0.02706
0.00000
6
0.03323
-0.05874
0.00000
7
0.01718
0.01465
0.00000
8
-0.00884
0.01448
0.00000
9
-0.00883
0.01447
0.00000
10
0.01718
0.01464
0.00000
11
0.06010
-0.06533
0.00000
12
-0.02765
0.06827
0.00000
13
-0.02764
0.06826
0.00000
14
0.06011
-0.06534
0.00000
15
0.05983
0.03244
0.00000
16
0.05983
0.03245
0.00000
17
-0.00194
-0.05947
0.00000
18
-0.00195
-0.05947
0.00000
19
-0.03095
0.01728
0.00000
20
-0.03097
0.01729
0.00000
21
-0.01303
0.03487
0.00000
22
-0.01304
0.03487
0.00000
23
0.13437
0.09686
0.00000
24
0.13438
0.09688
0.00000
25
-0.06114
-0.11255
0.00000
26
-0.06116
-0.11255
0.00000
27
-0.07436
0.03071
0.00000
28
-0.07437
0.03071
0.00000
29
-0.04049
0.13106
0.00000
30
-0.04050
0.13109
0.00000
31
0.00101
-0.03468
0.00000
32
0.00100
-0.03467
0.00000
33
-0.01709
0.05395
0.00000
34
-0.01710
0.05396
0.00000