Charge: 1
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/q+1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00685
-0.04773
0.00000
2
-0.00685
0.04773
0.00000
3
0.04296
-0.08474
0.00000
4
-0.02946
0.02679
0.00000
5
0.02946
-0.02679
0.00000
6
-0.04296
0.08474
0.00000
7
0.01119
0.00178
0.00000
8
-0.03758
0.02675
0.00000
9
0.03758
-0.02675
0.00000
10
-0.01119
-0.00178
0.00000
11
0.03487
-0.03694
0.00000
12
0.02091
0.00030
0.00000
13
-0.02091
-0.00030
0.00000
14
-0.03487
0.03694
0.00000
15
-0.03978
0.04862
0.00000
16
0.03978
-0.04862
0.00000
17
-0.06546
0.07474
0.00000
18
0.06546
-0.07474
0.00000
19
0.01393
0.00171
0.00000
20
-0.01393
-0.00171
0.00000
21
0.04160
-0.01487
0.00000
22
-0.04160
0.01487
0.00000
23
0.02832
0.10715
0.00000
24
-0.02832
-0.10715
0.00000
25
-0.14085
0.01427
0.00000
26
0.14085
-0.01427
0.00000
27
0.14197
-0.04149
0.00000
28
-0.14197
0.04149
0.00000
29
0.00196
-0.15692
0.00000
30
-0.00196
0.15692
0.00000
31
0.03411
-0.00450
0.00000
32
-0.03411
0.00450
0.00000
33
0.05606
-0.07751
0.00000
34
-0.05606
0.07751
0.00000