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)
0.19500
Diff mu Y
(Debye)
-0.03700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01757
-0.04742
0.00000
2
0.01757
-0.04742
0.00000
3
-0.02934
-0.02515
0.00000
4
0.03138
-0.02612
0.00000
5
0.03137
-0.02613
0.00000
6
-0.02934
-0.02515
0.00000
7
-0.06607
-0.02494
0.00000
8
-0.04271
-0.00767
0.00000
9
-0.04271
-0.00768
0.00000
10
-0.06607
-0.02494
0.00000
11
0.03128
0.02924
0.00000
12
0.09482
0.01735
0.00000
13
0.09481
0.01735
0.00000
14
0.03128
0.02924
0.00000
15
0.06751
0.02449
0.00000
16
0.06751
0.02449
0.00000
17
-0.00971
0.04926
0.00000
18
-0.00971
0.04926
0.00000
19
-0.01853
0.03103
0.00000
20
-0.01853
0.03103
0.00000
21
-0.07714
-0.02552
0.00000
22
-0.07715
-0.02552
0.00000
23
0.04333
0.00247
0.00000
24
0.04333
0.00247
0.00000
25
-0.03539
0.02615
0.00000
26
-0.03539
0.02615
0.00000
27
0.03694
0.01244
0.00000
28
0.03693
0.01244
0.00000
29
0.09023
0.04034
0.00000
30
0.09024
0.04034
0.00000
31
-0.05329
0.04266
0.00000
32
-0.05328
0.04267
0.00000
33
-0.07025
-0.05907
0.00000
34
-0.07025
-0.05907
0.00000