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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.21100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00594
-0.02554
2
0.00000
-0.00594
0.02554
3
0.00000
0.00959
0.00486
4
0.00000
0.00959
-0.00486
5
0.00000
0.00955
0.01992
6
0.00000
0.00955
-0.01992
7
0.00000
-0.00459
0.05836
8
0.00000
-0.00459
-0.05836
9
0.00000
-0.00021
-0.00544
10
0.00000
-0.00021
0.00544
11
0.00000
-0.01594
-0.01328
12
0.00000
-0.01594
0.01328
13
0.00000
-0.00314
-0.00790
14
0.00000
-0.00314
0.00790
15
0.00000
0.00541
0.01890
16
0.00000
0.00541
-0.01890
17
0.00000
-0.02836
-0.12861
18
0.00000
-0.02836
0.12861
19
0.00000
0.05073
0.10109
20
0.00000
0.05073
-0.10109
21
0.00000
0.00509
-0.02291
22
0.00000
0.00509
0.02291
23
0.00000
0.00868
0.00367
24
0.00000
0.00868
-0.00367
25
0.00000
-0.00787
-0.00698
26
0.00000
-0.00787
0.00698
27
0.00000
0.00322
-0.00806
28
0.00000
0.00322
0.00806
29
0.00000
-0.02842
0.18513
30
0.00000
-0.02842
-0.18513
31
0.00000
-0.18422
-0.01730
32
0.00000
-0.18422
0.01730