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)
1.53900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00023
-0.00031
2
0.00000
0.00023
-0.00031
3
0.00000
-0.00094
-0.00072
4
0.00000
0.00094
-0.00072
5
0.00000
-0.00038
0.00022
6
0.00000
0.00038
0.00022
7
0.00000
0.00018
0.00067
8
0.00000
-0.00018
0.00067
9
0.00000
-0.00884
-0.01416
10
0.00000
0.00884
-0.01416
11
0.00000
0.02357
-0.03895
12
0.00000
-0.02357
-0.03895
13
0.00000
-0.00358
-0.00698
14
0.00000
0.00358
-0.00698
15
0.00000
0.01449
0.00109
16
0.00000
-0.01449
0.00109
17
0.00000
0.02472
0.00025
18
0.00000
-0.02472
0.00025
19
0.00000
0.00479
-0.00878
20
0.00000
-0.00479
-0.00878
21
0.00000
-0.15784
-0.00025
22
0.00000
0.15784
-0.00025
23
0.00000
-0.27885
0.45532
24
0.00000
0.27885
0.45532
25
0.00000
0.05045
0.08981
26
0.00000
-0.05045
0.08981
27
0.00000
0.10061
0.17288
28
0.00000
-0.10061
0.17288
29
0.00000
-0.29118
-0.00278
30
0.00000
0.29118
-0.00278
31
0.00000
-0.05250
0.09069
32
0.00000
0.05250
0.09069