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)
0.00000
Diff mu Z
(Debye)
0.62300
Eigenvectors
#
X
Y
Z
1
0.00000
0.03036
-0.02413
2
0.00000
-0.03036
-0.02413
3
0.00000
-0.02819
-0.00925
4
0.00000
0.02819
-0.00925
5
0.00000
0.12067
-0.05479
6
0.00000
-0.12067
-0.05479
7
0.00000
0.00500
0.04850
8
0.00000
-0.00500
0.04850
9
0.00000
0.02947
0.05068
10
0.00000
-0.02947
0.05068
11
0.00000
-0.00565
-0.00239
12
0.00000
0.00565
-0.00239
13
0.00000
-0.02216
-0.02122
14
0.00000
0.02216
-0.02122
15
0.00000
-0.01965
0.00432
16
0.00000
0.01965
0.00432
17
0.00000
0.00808
-0.01198
18
0.00000
-0.00808
-0.01198
19
0.00000
-0.00036
-0.00404
20
0.00000
0.00036
-0.00404
21
0.00000
-0.02195
0.12356
22
0.00000
0.02195
0.12356
23
0.00000
0.00656
0.00391
24
0.00000
-0.00656
0.00391
25
0.00000
-0.28094
0.11248
26
0.00000
0.28094
0.11248
27
0.00000
-0.15450
0.16774
28
0.00000
0.15450
0.16774
29
0.00000
0.00934
-0.09706
30
0.00000
-0.00934
-0.09706
31
0.00000
-0.02921
-0.02151
32
0.00000
0.02921
-0.02151