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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.32200
Diff mu Y
(Debye)
1.02700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00008
-0.00019
0.00000
2
-0.00009
-0.00006
0.00000
3
-0.00090
0.00037
0.00000
4
-0.00033
-0.00074
0.00000
5
0.00012
0.00003
0.00000
6
0.00018
-0.00032
0.00000
7
0.01565
0.01476
0.00000
8
0.01044
-0.00438
0.00000
9
-0.00113
0.00040
0.00000
10
-0.00029
-0.00033
0.00000
11
0.00083
0.00090
0.00000
12
-0.00503
0.00124
0.00000
13
-0.00235
0.00088
0.00000
14
0.00450
0.00356
0.00000
15
0.00033
-0.00153
0.00000
16
-0.00225
0.01123
0.00000
17
-0.03948
0.00992
0.00000
18
0.01319
0.00852
0.00000
19
-0.01234
0.05870
0.00000
20
-0.02907
0.00526
0.00000
21
-0.18061
-0.15791
0.00000
22
-0.11520
0.03882
0.00000
23
0.01249
-0.00400
0.00000
24
0.00354
0.00361
0.00000
25
0.05341
-0.01676
0.00000
26
0.02663
-0.00775
0.00000
27
-0.04681
-0.04139
0.00000
28
0.02554
-0.12476
0.00000
29
0.15569
-0.65440
0.00000
30
-0.12837
-0.11782
0.00000
31
0.45976
-0.12322
0.00000
32
0.30661
-0.08306
0.00000