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)
-0.82700
Diff mu Y
(Debye)
0.46400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02838
-0.01869
0.00000
2
0.02838
-0.01869
0.00000
3
0.03483
-0.00694
0.00000
4
-0.07870
0.01478
0.00000
5
-0.07870
0.01478
0.00000
6
0.03483
-0.00694
0.00000
7
0.03067
-0.04178
0.00000
8
-0.00329
0.02750
0.00000
9
-0.00329
0.02750
0.00000
10
0.03067
-0.04178
0.00000
11
-0.07200
0.08746
0.00000
12
0.01085
-0.03981
0.00000
13
0.01085
-0.03981
0.00000
14
-0.07200
0.08746
0.00000
15
0.04495
0.01430
0.00000
16
0.04495
0.01430
0.00000
17
-0.02455
-0.05165
0.00000
18
-0.02455
-0.05165
0.00000
19
0.04461
0.00556
0.00000
20
0.04461
0.00556
0.00000
21
-0.02070
0.01307
0.00000
22
-0.02070
0.01307
0.00000
23
0.13409
0.09051
0.00000
24
0.13409
0.09051
0.00000
25
-0.04636
-0.06873
0.00000
26
-0.04636
-0.06873
0.00000
27
-0.03252
0.03410
0.00000
28
-0.03252
0.03410
0.00000
29
0.03683
-0.17611
0.00000
30
0.03683
-0.17611
0.00000
31
-0.02033
0.10505
0.00000
32
-0.02033
0.10505
0.00000
33
-0.01282
-0.03031
0.00000
34
-0.01282
-0.03031
0.00000