Charge: 2
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+2
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)
1.21100
Diff mu Y
(Debye)
0.43600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06989
0.04006
0.00000
2
-0.00653
0.00114
0.00000
3
-0.04039
-0.05539
0.00000
4
-0.00249
0.02170
0.00000
5
-0.06471
-0.05187
0.00000
6
0.03079
-0.06056
0.00000
7
-0.01302
0.07222
0.00000
8
-0.00437
-0.08333
0.00000
9
0.03419
-0.02910
0.00000
10
-0.05559
0.07680
0.00000
11
0.02325
0.02100
0.00000
12
0.03460
0.02855
0.00000
13
0.04363
0.08840
0.00000
14
0.01160
0.02976
0.00000
15
-0.04118
-0.04557
0.00000
16
-0.06102
-0.02634
0.00000
17
-0.01112
0.01736
0.00000
18
0.01858
-0.03152
0.00000
19
0.01004
0.02055
0.00000
20
-0.00709
-0.01028
0.00000
21
0.10810
-0.06228
0.00000
22
0.06518
0.11725
0.00000
23
0.04594
-0.01884
0.00000
24
0.13452
-0.13527
0.00000
25
0.01340
-0.04171
0.00000
26
-0.05075
-0.20519
0.00000
27
0.06799
-0.02655
0.00000
28
0.11436
0.00650
0.00000
29
-0.03804
0.01202
0.00000
30
-0.06970
0.05845
0.00000
31
-0.01601
0.01225
0.00000
32
-0.00666
0.00229
0.00000