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)
0.32200
Diff mu Y
(Debye)
0.58200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00653
0.03804
0.00000
2
-0.00653
0.03804
0.00000
3
0.04555
-0.05221
0.00000
4
0.01932
-0.01526
0.00000
5
0.01932
-0.01526
0.00000
6
0.04555
-0.05221
0.00000
7
-0.09166
0.00024
0.00000
8
0.03014
-0.02490
0.00000
9
0.03014
-0.02490
0.00000
10
-0.09166
0.00024
0.00000
11
0.01232
0.02449
0.00000
12
-0.01199
0.00278
0.00000
13
-0.01199
0.00278
0.00000
14
0.01232
0.02449
0.00000
15
0.00896
0.01557
0.00000
16
0.00896
0.01557
0.00000
17
-0.06332
-0.02894
0.00000
18
-0.06332
-0.02894
0.00000
19
0.04893
-0.03293
0.00000
20
0.04893
-0.03293
0.00000
21
-0.00668
0.09130
0.00000
22
-0.00668
0.09130
0.00000
23
-0.06320
-0.04254
0.00000
24
-0.06320
-0.04254
0.00000
25
0.11349
0.12338
0.00000
26
0.11349
0.12338
0.00000
27
0.06639
-0.04117
0.00000
28
0.06639
-0.04117
0.00000
29
-0.02112
0.01864
0.00000
30
-0.02112
0.01864
0.00000
31
0.04861
-0.12950
0.00000
32
0.04861
-0.12950
0.00000
33
0.03384
-0.14556
0.00000
34
0.03384
-0.14556
0.00000