Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
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)
0.25200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00411
2
0.00000
0.00000
-0.05701
3
0.00000
0.00000
0.02284
4
0.00000
0.00000
0.03705
5
0.00000
0.00000
-0.00035
6
0.00000
0.00000
-0.04731
7
0.00000
0.00000
-0.08485
8
0.00000
0.00000
0.06183
9
0.00000
0.00000
0.00937
10
0.00000
0.00000
0.00137
11
0.00000
0.00000
0.11876
12
0.00000
0.00000
-0.01433
13
0.00000
0.00000
-0.02772
14
0.00000
0.00000
0.04146
15
0.00000
0.00000
0.09807
16
0.00000
0.00000
-0.02341
17
0.00000
0.00000
-0.07762
18
0.00000
0.00000
0.02839
19
0.00000
0.00000
0.04180
20
0.00000
0.00000
-0.08347
21
0.00000
0.00000
-0.16524
22
0.00000
0.00000
0.12980
23
0.00000
0.00000
0.04555
24
0.00000
0.00000
0.05019
25
0.00000
0.00000
-0.02709
26
0.00000
0.00000
-0.17566
27
0.00000
0.00000
0.14142
28
0.00000
0.00000
-0.03145
29
0.00000
0.00000
0.02612
30
0.00000
0.00000
-0.00476
31
0.00000
0.00000
-0.28699
32
0.00000
0.00000
-0.28514