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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.16300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04916
2
0.00000
0.00000
-0.04916
3
0.00000
0.00000
0.11202
4
0.00000
0.00000
0.05956
5
0.00000
0.00000
0.05956
6
0.00000
0.00000
0.11202
7
0.00000
0.00000
-0.06600
8
0.00000
0.00000
-0.02266
9
0.00000
0.00000
-0.02266
10
0.00000
0.00000
-0.06600
11
0.00000
0.00000
-0.08421
12
0.00000
0.00000
-0.03828
13
0.00000
0.00000
-0.03828
14
0.00000
0.00000
-0.08421
15
0.00000
0.00000
0.01275
16
0.00000
0.00000
0.01275
17
0.00000
0.00000
0.03585
18
0.00000
0.00000
0.03585
19
0.00000
0.00000
-0.01774
20
0.00000
0.00000
-0.01774
21
0.00000
0.00000
0.03610
22
0.00000
0.00000
0.03610
23
0.00000
0.00000
0.17413
24
0.00000
0.00000
0.17413
25
0.00000
0.00000
-0.01182
26
0.00000
0.00000
-0.01182
27
0.00000
0.00000
-0.07761
28
0.00000
0.00000
-0.07761
29
0.00000
0.00000
0.00475
30
0.00000
0.00000
0.00475
31
0.00000
0.00000
0.20403
32
0.00000
0.00000
0.20403
33
0.00000
0.00000
-0.03444
34
0.00000
0.00000
-0.03444