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)
-0.36900
Diff mu Y
(Debye)
-1.33200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00083
0.05518
0.00000
2
0.00083
0.05518
0.00000
3
0.03841
-0.04739
0.00000
4
-0.00168
0.01132
0.00000
5
-0.00168
0.01132
0.00000
6
0.03841
-0.04739
0.00000
7
0.00683
-0.04860
0.00000
8
-0.02297
-0.00803
0.00000
9
-0.02297
-0.00803
0.00000
10
0.00683
-0.04860
0.00000
11
-0.06615
-0.08324
0.00000
12
0.02985
0.00226
0.00000
13
0.02985
0.00226
0.00000
14
-0.06615
-0.08324
0.00000
15
-0.00655
-0.00702
0.00000
16
-0.00655
-0.00702
0.00000
17
-0.01743
0.03144
0.00000
18
-0.01743
0.03144
0.00000
19
0.00359
0.03801
0.00000
20
0.00359
0.03801
0.00000
21
0.01276
-0.00555
0.00000
22
0.01276
-0.00555
0.00000
23
0.11654
0.09278
0.00000
24
0.11654
0.09278
0.00000
25
0.23028
0.25993
0.00000
26
0.23028
0.25993
0.00000
27
-0.03431
0.05526
0.00000
28
-0.03431
0.05526
0.00000
29
0.00691
0.13011
0.00000
30
0.00691
0.13011
0.00000
31
-0.06148
0.16799
0.00000
32
-0.06148
0.16799
0.00000
33
0.00980
0.02774
0.00000
34
0.00980
0.02774
0.00000