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)
0.20000
Diff mu Y
(Debye)
-0.12500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00005
-0.00011
0.00000
2
0.00004
0.00003
0.00000
3
0.00003
-0.00005
0.00000
4
-0.00099
-0.00225
0.00000
5
0.00002
-0.00050
0.00000
6
-0.00118
0.00169
0.00000
7
-0.00831
-0.00455
0.00000
8
0.04683
-0.01590
0.00000
9
-0.00828
0.00198
0.00000
10
0.01785
0.01584
0.00000
11
-0.00026
-0.00016
0.00000
12
-0.01988
0.00698
0.00000
13
-0.01897
0.00622
0.00000
14
-0.02762
-0.02426
0.00000
15
0.00008
0.00014
0.00000
16
0.00150
0.00489
0.00000
17
-0.00010
-0.00073
0.00000
18
0.01560
0.01633
0.00000
19
0.00488
-0.02262
0.00000
20
-0.01974
0.00610
0.00000
21
0.09431
0.07819
0.00000
22
-0.53646
0.17786
0.00000
23
0.09956
-0.03263
0.00000
24
-0.20467
-0.18338
0.00000
25
0.22768
-0.07590
0.00000
26
0.22025
-0.07016
0.00000
27
0.31398
0.27566
0.00000
28
0.00866
-0.05590
0.00000
29
-0.05949
0.26489
0.00000
30
-0.18691
-0.17903
0.00000
31
0.00879
-0.00206
0.00000
32
0.23511
-0.06720
0.00000