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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03646
0.00000
0.00000
2
0.03646
0.00000
0.00000
3
-0.00958
0.00000
0.00000
4
0.00958
0.00000
0.00000
5
-0.02760
0.00000
0.00000
6
0.02760
0.00000
0.00000
7
-0.05831
0.00000
0.00000
8
0.05831
0.00000
0.00000
9
0.00579
0.00000
0.00000
10
-0.00579
0.00000
0.00000
11
0.07773
0.00000
0.00000
12
-0.07773
0.00000
0.00000
13
0.01897
0.00000
0.00000
14
-0.01897
0.00000
0.00000
15
0.02201
0.00000
0.00000
16
-0.02201
0.00000
0.00000
17
0.01006
0.00000
0.00000
18
-0.01006
0.00000
0.00000
19
-0.04976
0.00000
0.00000
20
0.04976
0.00000
0.00000
21
-0.21792
0.00000
0.00000
22
0.21792
0.00000
0.00000
23
-0.45713
0.00000
0.00000
24
0.45713
0.00000
0.00000
25
-0.14891
0.00000
0.00000
26
0.14891
0.00000
0.00000
27
0.05017
0.00000
0.00000
28
-0.05017
0.00000
0.00000
29
0.18787
0.00000
0.00000
30
-0.18787
0.00000
0.00000
31
-0.01081
0.00000
0.00000
32
0.01081
0.00000
0.00000