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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.01700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07030
2
0.00000
0.00000
0.05560
3
0.00000
0.00000
0.01480
4
0.00000
0.00000
-0.05602
5
0.00000
0.00000
0.08128
6
0.00000
0.00000
0.01677
7
0.00000
0.00000
0.02242
8
0.00000
0.00000
0.04509
9
0.00000
0.00000
-0.08062
10
0.00000
0.00000
-0.05819
11
0.00000
0.00000
-0.00564
12
0.00000
0.00000
-0.00899
13
0.00000
0.00000
0.02358
14
0.00000
0.00000
0.02148
15
0.00000
0.00000
-0.02856
16
0.00000
0.00000
-0.01519
17
0.00000
0.00000
0.00666
18
0.00000
0.00000
0.02282
19
0.00000
0.00000
0.00118
20
0.00000
0.00000
0.01204
21
0.00000
0.00000
-0.23756
22
0.00000
0.00000
-0.17723
23
0.00000
0.00000
0.40275
24
0.00000
0.00000
0.44839
25
0.00000
0.00000
0.18378
26
0.00000
0.00000
-0.25338
27
0.00000
0.00000
-0.10016
28
0.00000
0.00000
0.02750
29
0.00000
0.00000
-0.09170
30
0.00000
0.00000
-0.12228
31
0.00000
0.00000
-0.09444
32
0.00000
0.00000
0.01198