Charge: 2
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+2
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
0.00002
0.00011
0.00000
2
-0.00002
-0.00011
0.00000
3
-0.00012
0.00042
0.00000
4
0.00015
-0.00005
0.00000
5
-0.00015
0.00005
0.00000
6
0.00012
-0.00042
0.00000
7
-0.00008
-0.00075
0.00000
8
-0.00098
0.00028
0.00000
9
0.00098
-0.00028
0.00000
10
0.00008
0.00075
0.00000
11
-0.00061
-0.00037
0.00000
12
0.00220
0.00049
0.00000
13
-0.00220
-0.00049
0.00000
14
0.00061
0.00037
0.00000
15
-0.00739
0.01012
0.00000
16
0.00739
-0.01012
0.00000
17
-0.01804
0.01867
0.00000
18
0.01804
-0.01867
0.00000
19
0.01633
0.04679
0.00000
20
-0.01633
-0.04679
0.00000
21
0.01750
0.00212
0.00000
22
-0.01750
-0.00212
0.00000
23
0.09233
-0.11010
0.00000
24
-0.09233
0.11010
0.00000
25
0.18796
-0.22061
0.00000
26
-0.18796
0.22061
0.00000
27
-0.18500
-0.52694
0.00000
28
0.18500
0.52694
0.00000
29
0.01780
0.00502
0.00000
30
-0.01780
-0.00502
0.00000
31
-0.01691
-0.00003
0.00000
32
0.01691
0.00003
0.00000
33
-0.18667
-0.03442
0.00000
34
0.18667
0.03442
0.00000