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)
0.05700
Diff mu Y
(Debye)
0.08200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06298
-0.02446
0.00000
2
-0.02977
-0.03730
0.00000
3
0.02032
0.02988
0.00000
4
-0.02937
0.04587
0.00000
5
0.10476
-0.02884
0.00000
6
-0.04572
-0.06686
0.00000
7
0.02795
0.08836
0.00000
8
-0.02820
0.07754
0.00000
9
0.09535
0.00115
0.00000
10
-0.01891
-0.01967
0.00000
11
-0.03232
0.00833
0.00000
12
-0.05186
0.04662
0.00000
13
0.03841
-0.04356
0.00000
14
-0.05641
-0.07202
0.00000
15
-0.02796
0.01062
0.00000
16
-0.02996
0.01006
0.00000
17
-0.01515
-0.02134
0.00000
18
0.01209
-0.02390
0.00000
19
0.01502
-0.00589
0.00000
20
-0.01480
0.02096
0.00000
21
0.03887
0.07351
0.00000
22
-0.03591
0.05351
0.00000
23
0.11921
0.07091
0.00000
24
-0.07735
0.04471
0.00000
25
-0.05444
0.03847
0.00000
26
0.01285
-0.12548
0.00000
27
-0.03526
-0.09563
0.00000
28
0.03944
0.02385
0.00000
29
0.04175
0.00071
0.00000
30
0.02334
-0.03602
0.00000
31
-0.02296
-0.04387
0.00000
32
-0.00717
0.04859
0.00000