Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
-0.34600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00003
0.00005
2
0.00000
-0.00003
0.00005
3
0.00000
-0.00014
-0.00001
4
0.00000
0.00014
-0.00001
5
0.00000
-0.00024
0.00038
6
0.00000
0.00024
0.00038
7
0.00000
-0.00032
-0.00067
8
0.00000
0.00032
-0.00067
9
0.00000
-0.00712
-0.01157
10
0.00000
0.00712
-0.01157
11
0.00000
0.00435
-0.00655
12
0.00000
-0.00435
-0.00655
13
0.00000
-0.00314
-0.00632
14
0.00000
0.00314
-0.00632
15
0.00000
0.00264
0.00013
16
0.00000
-0.00264
0.00013
17
0.00000
-0.02644
0.00105
18
0.00000
0.02644
0.00105
19
0.00000
0.02481
-0.04064
20
0.00000
-0.02481
-0.04064
21
0.00000
-0.03039
-0.00115
22
0.00000
0.03039
-0.00115
23
0.00000
-0.04709
0.07321
24
0.00000
0.04709
0.07321
25
0.00000
0.04197
0.07502
26
0.00000
-0.04197
0.07502
27
0.00000
0.08053
0.13817
28
0.00000
-0.08053
0.13817
29
0.00000
0.32279
-0.00191
30
0.00000
-0.32279
-0.00191
31
0.00000
-0.28379
0.48060
32
0.00000
0.28379
0.48060