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)
-844.57197
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)
0.10200
Diff mu Y
(Debye)
-0.12300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02796
0.00081
0.00000
2
-0.02796
0.00081
0.00000
3
0.02704
-0.01177
0.00000
4
0.04135
-0.04724
0.00000
5
0.04135
-0.04724
0.00000
6
0.02704
-0.01177
0.00000
7
-0.00809
0.02419
0.00000
8
-0.01023
0.05710
0.00000
9
-0.01023
0.05710
0.00000
10
-0.00809
0.02419
0.00000
11
-0.01425
0.02779
0.00000
12
-0.03262
-0.03307
0.00000
13
-0.03262
-0.03307
0.00000
14
-0.01425
0.02779
0.00000
15
0.04356
0.05370
0.00000
16
0.04356
0.05370
0.00000
17
-0.03670
-0.05221
0.00000
18
-0.03670
-0.05221
0.00000
19
-0.01812
0.05753
0.00000
20
-0.01812
0.05753
0.00000
21
0.03058
-0.08741
0.00000
22
0.03058
-0.08741
0.00000
23
-0.09437
-0.06039
0.00000
24
-0.09437
-0.06039
0.00000
25
0.12161
0.09263
0.00000
26
0.12161
0.09263
0.00000
27
0.07592
0.03354
0.00000
28
0.07592
0.03354
0.00000
29
-0.05532
0.03638
0.00000
30
-0.05532
0.03638
0.00000
31
0.03449
-0.13736
0.00000
32
0.03449
-0.13736
0.00000
33
-0.01761
0.16128
0.00000
34
-0.01761
0.16128
0.00000