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)
-1.30700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.11366
-0.00759
2
0.00000
0.11366
0.00759
3
0.00000
0.00829
-0.01103
4
0.00000
0.00829
0.01103
5
0.00000
0.00301
-0.00124
6
0.00000
0.00301
0.00124
7
0.00000
-0.00754
-0.01424
8
0.00000
-0.00754
0.01424
9
0.00000
-0.00398
0.01640
10
0.00000
-0.00398
-0.01640
11
0.00000
-0.06649
0.08919
12
0.00000
-0.06649
-0.08919
13
0.00000
-0.05981
-0.08906
14
0.00000
-0.05981
0.08906
15
0.00000
0.02775
0.00145
16
0.00000
0.02775
-0.00145
17
0.00000
0.01086
0.00471
18
0.00000
0.01086
-0.00471
19
0.00000
-0.00772
0.00369
20
0.00000
-0.00772
-0.00369
21
0.00000
0.02549
-0.00706
22
0.00000
0.02549
0.00706
23
0.00000
-0.10174
0.06942
24
0.00000
-0.10174
-0.06942
25
0.00000
-0.10437
-0.06768
26
0.00000
-0.10437
0.06768
27
0.00000
-0.02010
0.02778
28
0.00000
-0.02010
-0.02778
29
0.00000
0.01369
0.05550
30
0.00000
0.01369
-0.05550
31
0.00000
-0.02768
-0.00676
32
0.00000
-0.02768
0.00676