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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
0.02800
Diff mu Y
(Debye)
1.86700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00911
0.03008
0.00000
2
0.00911
0.03008
0.00000
3
0.02012
-0.05811
0.00000
4
-0.01291
-0.02935
0.00000
5
-0.01291
-0.02935
0.00000
6
0.02012
-0.05811
0.00000
7
-0.02910
0.04537
0.00000
8
0.01683
-0.01564
0.00000
9
0.01683
-0.01564
0.00000
10
-0.02910
0.04537
0.00000
11
-0.00231
0.06123
0.00000
12
0.01636
0.09106
0.00000
13
0.01636
0.09106
0.00000
14
-0.00231
0.06123
0.00000
15
-0.04457
-0.08825
0.00000
16
-0.04457
-0.08825
0.00000
17
0.01954
-0.01636
0.00000
18
0.01954
-0.01636
0.00000
19
-0.04944
0.02463
0.00000
20
-0.04944
0.02463
0.00000
21
0.02974
-0.04310
0.00000
22
0.02974
-0.04310
0.00000
23
0.13420
0.06336
0.00000
24
0.13420
0.06336
0.00000
25
0.02212
-0.01551
0.00000
26
0.02212
-0.01551
0.00000
27
0.07602
-0.01736
0.00000
28
0.07602
-0.01736
0.00000
29
0.06275
-0.10377
0.00000
30
0.06275
-0.10377
0.00000
31
0.01326
0.00267
0.00000
32
0.01326
0.00267
0.00000
33
0.00888
0.05207
0.00000
34
0.00888
0.05207
0.00000