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)
0.72300
Diff mu Y
(Debye)
0.13900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00003
-0.00004
0.00000
2
-0.00003
-0.00004
0.00000
3
-0.00007
-0.00007
0.00000
4
-0.00055
0.00150
0.00000
5
-0.00055
0.00150
0.00000
6
-0.00007
-0.00007
0.00000
7
0.00045
0.00055
0.00000
8
-0.01661
-0.00357
0.00000
9
-0.01661
-0.00357
0.00000
10
0.00045
0.00055
0.00000
11
-0.00166
-0.00113
0.00000
12
0.02373
0.00608
0.00000
13
0.02373
0.00608
0.00000
14
-0.00166
-0.00113
0.00000
15
0.01606
-0.02183
0.00000
16
0.01606
-0.02183
0.00000
17
-0.01592
0.01859
0.00000
18
-0.01592
0.01859
0.00000
19
0.00478
0.00742
0.00000
20
0.00478
0.00742
0.00000
21
-0.03462
-0.00624
0.00000
22
-0.03462
-0.00624
0.00000
23
-0.19046
0.22883
0.00000
24
-0.19046
0.22883
0.00000
25
0.18114
-0.21260
0.00000
26
0.18114
-0.21260
0.00000
27
-0.03485
-0.09329
0.00000
28
-0.03485
-0.09329
0.00000
29
-0.26206
-0.04827
0.00000
30
-0.26206
-0.04827
0.00000
31
0.19568
0.03720
0.00000
32
0.19568
0.03720
0.00000
33
0.40166
0.07304
0.00000
34
0.40166
0.07304
0.00000