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)
-0.38800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00004
-0.00063
2
0.00000
-0.00004
-0.00063
3
0.00000
0.00072
0.00004
4
0.00000
-0.00072
0.00004
5
0.00000
-0.00003
-0.00032
6
0.00000
0.00003
-0.00032
7
0.00000
-0.00034
0.00054
8
0.00000
0.00034
0.00054
9
0.00000
-0.01903
-0.03014
10
0.00000
0.01903
-0.03014
11
0.00000
-0.00488
0.00862
12
0.00000
0.00488
0.00862
13
0.00000
-0.01725
-0.03357
14
0.00000
0.01725
-0.03357
15
0.00000
-0.02113
-0.00031
16
0.00000
0.02113
-0.00031
17
0.00000
0.01391
0.00079
18
0.00000
-0.01391
0.00079
19
0.00000
-0.00265
0.00413
20
0.00000
0.00265
0.00413
21
0.00000
0.22823
0.00095
22
0.00000
-0.22823
0.00095
23
0.00000
0.05066
-0.08061
24
0.00000
-0.05066
-0.08061
25
0.00000
0.21267
0.38253
26
0.00000
-0.21267
0.38253
27
0.00000
0.20750
0.35732
28
0.00000
-0.20750
0.35732
29
0.00000
-0.16588
-0.00005
30
0.00000
0.16588
-0.00005
31
0.00000
0.03158
-0.05444
32
0.00000
-0.03158
-0.05444