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)
-1.51100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02890
-0.06198
2
0.00000
0.02890
0.06198
3
0.00000
0.00197
-0.00501
4
0.00000
0.00197
0.00501
5
0.00000
-0.07417
-0.00908
6
0.00000
-0.07417
0.00908
7
0.00000
-0.04242
0.08974
8
0.00000
-0.04242
-0.08974
9
0.00000
0.00977
0.03474
10
0.00000
0.00977
-0.03474
11
0.00000
0.01267
0.02934
12
0.00000
0.01267
-0.02934
13
0.00000
0.00431
0.02228
14
0.00000
0.00431
-0.02228
15
0.00000
0.00385
-0.00641
16
0.00000
0.00385
0.00641
17
0.00000
0.01610
-0.01202
18
0.00000
0.01610
0.01202
19
0.00000
0.01673
-0.01160
20
0.00000
0.01673
0.01160
21
0.00000
0.00588
-0.09476
22
0.00000
0.00588
0.09476
23
0.00000
-0.09336
-0.03574
24
0.00000
-0.09336
0.03574
25
0.00000
0.25104
-0.11299
26
0.00000
0.25104
0.11299
27
0.00000
0.09581
-0.01974
28
0.00000
0.09581
0.01974
29
0.00000
0.01720
-0.32606
30
0.00000
0.01720
0.32606
31
0.00000
-0.01136
-0.03147
32
0.00000
-0.01136
0.03147