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)
0.10500
Diff mu Y
(Debye)
0.48400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04177
0.00121
0.00000
2
-0.04177
0.00121
0.00000
3
-0.05418
-0.01641
0.00000
4
0.09565
-0.01515
0.00000
5
0.09565
-0.01516
0.00000
6
-0.05418
-0.01641
0.00000
7
0.10159
-0.02338
0.00000
8
-0.05768
0.03985
0.00000
9
-0.05768
0.03985
0.00000
10
0.10159
-0.02338
0.00000
11
0.00324
0.02859
0.00000
12
-0.03255
0.04264
0.00000
13
-0.03256
0.04264
0.00000
14
0.00324
0.02860
0.00000
15
0.01619
-0.02159
0.00000
16
0.01618
-0.02159
0.00000
17
-0.01043
-0.02699
0.00000
18
-0.01043
-0.02699
0.00000
19
-0.00747
0.00597
0.00000
20
-0.00747
0.00597
0.00000
21
-0.01988
0.01890
0.00000
22
-0.01988
0.01890
0.00000
23
-0.02162
-0.05627
0.00000
24
-0.02160
-0.05625
0.00000
25
0.05965
0.03081
0.00000
26
0.05964
0.03081
0.00000
27
0.06097
-0.01763
0.00000
28
0.06096
-0.01763
0.00000
29
-0.01299
-0.04542
0.00000
30
-0.01299
-0.04540
0.00000
31
-0.02123
-0.13670
0.00000
32
-0.02123
-0.13670
0.00000
33
0.02219
-0.17532
0.00000
34
0.02219
-0.17532
0.00000