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)
0.26000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01218
-0.07593
2
0.00000
0.01218
-0.07593
3
0.00000
-0.03950
-0.07028
4
0.00000
0.03950
-0.07028
5
0.00000
-0.01372
-0.01457
6
0.00000
0.01372
-0.01457
7
0.00000
-0.03800
-0.04137
8
0.00000
0.03800
-0.04137
9
0.00000
0.01664
0.07768
10
0.00000
-0.01664
0.07768
11
0.00000
-0.04542
0.04258
12
0.00000
0.04542
0.04258
13
0.00000
0.03498
-0.00290
14
0.00000
-0.03498
-0.00290
15
0.00000
0.06928
0.00852
16
0.00000
-0.06928
0.00852
17
0.00000
-0.06483
0.02730
18
0.00000
0.06483
0.02730
19
0.00000
-0.01819
0.03503
20
0.00000
0.01819
0.03503
21
0.00000
0.07044
-0.05576
22
0.00000
-0.07044
-0.05576
23
0.00000
-0.04771
0.03384
24
0.00000
0.04771
0.03384
25
0.00000
-0.00822
0.01999
26
0.00000
0.00822
0.01999
27
0.00000
0.08582
0.03620
28
0.00000
-0.08582
0.03620
29
0.00000
-0.06882
0.06797
30
0.00000
0.06882
0.06797
31
0.00000
0.02197
0.06376
32
0.00000
-0.02197
0.06376