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)
0.05600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02698
2
0.00000
0.00000
-0.00070
3
0.00000
0.00000
-0.03712
4
0.00000
0.00000
0.02836
5
0.00000
0.00000
0.05040
6
0.00000
0.00000
-0.06053
7
0.00000
0.00000
-0.05487
8
0.00000
0.00000
0.07822
9
0.00000
0.00000
0.08979
10
0.00000
0.00000
-0.08281
11
0.00000
0.00000
0.00468
12
0.00000
0.00000
-0.06920
13
0.00000
0.00000
-0.09284
14
0.00000
0.00000
0.05504
15
0.00000
0.00000
-0.03175
16
0.00000
0.00000
0.01692
17
0.00000
0.00000
0.06694
18
0.00000
0.00000
-0.05765
19
0.00000
0.00000
-0.01257
20
0.00000
0.00000
0.07395
21
0.00000
0.00000
-0.12391
22
0.00000
0.00000
0.13750
23
0.00000
0.00000
0.16402
24
0.00000
0.00000
-0.14563
25
0.00000
0.00000
-0.15279
26
0.00000
0.00000
-0.17746
27
0.00000
0.00000
0.13569
28
0.00000
0.00000
0.03869
29
0.00000
0.00000
-0.00293
30
0.00000
0.00000
-0.10749
31
0.00000
0.00000
0.16238
32
0.00000
0.00000
0.17618