Charge: 0
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
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.12400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02973
2
0.00000
0.00000
0.12078
3
0.00000
0.00000
-0.03986
4
0.00000
0.00000
0.03678
5
0.00000
0.00000
-0.08714
6
0.00000
0.00000
-0.02666
7
0.00000
0.00000
0.03545
8
0.00000
0.00000
-0.03183
9
0.00000
0.00000
0.05896
10
0.00000
0.00000
-0.04033
11
0.00000
0.00000
-0.01070
12
0.00000
0.00000
-0.05818
13
0.00000
0.00000
-0.03217
14
0.00000
0.00000
-0.03256
15
0.00000
0.00000
0.10081
16
0.00000
0.00000
0.06672
17
0.00000
0.00000
-0.04770
18
0.00000
0.00000
0.07322
19
0.00000
0.00000
-0.05406
20
0.00000
0.00000
0.02261
21
0.00001
-0.00001
0.10233
22
0.00000
-0.00001
-0.07853
23
0.00000
-0.00001
0.22621
24
0.00000
0.00000
0.00838
25
0.00000
0.00001
-0.18948
26
0.00000
0.00000
-0.03928
27
0.00000
0.00000
-0.10805
28
0.00000
0.00000
0.10747
29
0.00000
0.00000
-0.20626
30
0.00000
0.00000
0.11813
31
0.00000
0.00000
-0.14779
32
0.00000
0.00000
-0.08377