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
-0.03913
-0.00191
0.00000
2
0.03913
0.00191
0.00000
3
0.01821
-0.01475
0.00000
4
-0.00045
-0.04706
0.00000
5
0.00045
0.04706
0.00000
6
-0.01821
0.01475
0.00000
7
-0.00892
0.02651
0.00000
8
0.00821
-0.00666
0.00000
9
-0.00821
0.00666
0.00000
10
0.00892
-0.02651
0.00000
11
0.01881
0.01798
0.00000
12
-0.04622
0.04462
0.00000
13
0.04622
-0.04462
0.00000
14
-0.01881
-0.01798
0.00000
15
-0.07821
-0.03771
0.00000
16
0.07821
0.03771
0.00000
17
0.02474
0.03645
0.00000
18
-0.02474
-0.03645
0.00000
19
0.02808
-0.04209
0.00000
20
-0.02808
0.04209
0.00000
21
-0.02115
0.01653
0.00000
22
0.02115
-0.01653
0.00000
23
0.23691
0.22802
0.00000
24
-0.23691
-0.22802
0.00000
25
-0.15214
-0.11426
0.00000
26
0.15214
0.11426
0.00000
27
-0.15625
0.01792
0.00000
28
0.15625
-0.01792
0.00000
29
0.00092
0.22954
0.00000
30
-0.00092
-0.22954
0.00000
31
-0.00302
-0.05298
0.00000
32
0.00302
0.05298
0.00000
33
-0.02127
-0.01205
0.00000
34
0.02127
0.01205
0.00000