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)
-0.10800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00193
2
0.00000
0.00000
-0.00091
3
0.00000
0.00000
-0.00920
4
0.00000
0.00000
0.01567
5
0.00000
0.00000
-0.00589
6
0.00000
0.00000
-0.00513
7
0.00000
0.00000
0.08726
8
0.00000
0.00000
-0.09123
9
0.00000
0.00000
0.00464
10
0.00000
0.00000
0.00287
11
0.00000
0.00000
0.00124
12
0.00000
0.00000
0.00946
13
0.00000
0.00000
0.01463
14
0.00000
0.00000
0.02892
15
0.00000
0.00000
-0.01370
16
0.00000
0.00000
-0.04104
17
0.00000
0.00000
0.02622
18
0.00000
0.00000
-0.01409
19
0.00000
0.00000
-0.02984
20
0.00000
0.00000
0.03510
21
0.00000
0.00000
-0.50083
22
0.00000
0.00000
0.53335
23
0.00000
0.00000
-0.02338
24
0.00000
0.00000
-0.00823
25
0.00000
0.00000
-0.07411
26
0.00000
0.00000
-0.06413
27
0.00000
0.00000
-0.15865
28
0.00000
0.00000
0.24131
29
0.00000
0.00000
0.16072
30
0.00000
0.00000
0.09194
31
0.00000
0.00000
-0.17161
32
0.00000
0.00000
-0.18183