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)
-0.69800
Diff mu Y
(Debye)
-0.01700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00015
-0.00003
0.00000
2
0.00013
-0.00003
0.00000
3
0.00029
-0.00028
0.00000
4
0.00016
0.00030
0.00000
5
0.00003
-0.00023
0.00000
6
-0.00010
0.00017
0.00000
7
-0.00302
-0.00341
0.00000
8
-0.01150
0.00412
0.00000
9
0.00094
-0.00046
0.00000
10
0.00171
0.00170
0.00000
11
0.00047
-0.00027
0.00000
12
-0.00347
0.00116
0.00000
13
-0.00576
0.00195
0.00000
14
-0.00197
-0.00175
0.00000
15
-0.00034
-0.00108
0.00000
16
0.00054
-0.00162
0.00000
17
0.02241
-0.00384
0.00000
18
-0.04566
-0.04525
0.00000
19
-0.00155
0.01973
0.00000
20
-0.03715
0.00964
0.00000
21
0.03435
0.02997
0.00000
22
0.13112
-0.04311
0.00000
23
-0.01054
0.00388
0.00000
24
-0.01976
-0.01821
0.00000
25
0.04029
-0.01392
0.00000
26
0.06774
-0.02001
0.00000
27
0.02238
0.01999
0.00000
28
-0.00415
0.01876
0.00000
29
0.04877
-0.22074
0.00000
30
0.53874
0.52091
0.00000
31
-0.27198
0.07176
0.00000
32
0.41972
-0.11750
0.00000