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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.34300
Diff mu Y
(Debye)
0.33900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03698
-0.03874
0.00000
2
-0.06328
0.00821
0.00000
3
-0.00738
-0.00182
0.00000
4
-0.01640
-0.00745
0.00000
5
0.11614
0.02547
0.00000
6
0.12815
0.05779
0.00000
7
-0.00351
0.03571
0.00000
8
0.01423
-0.03712
0.00000
9
-0.03993
-0.05208
0.00000
10
-0.06742
0.02900
0.00000
11
-0.01969
0.00100
0.00000
12
0.01909
0.01944
0.00000
13
-0.01343
0.03368
0.00000
14
0.02660
-0.07211
0.00000
15
0.01152
-0.05597
0.00000
16
-0.03155
0.02415
0.00000
17
0.01691
0.02746
0.00000
18
0.00408
-0.00879
0.00000
19
-0.02508
0.00878
0.00000
20
-0.00810
-0.00556
0.00000
21
0.10441
-0.08970
0.00000
22
0.08192
0.15269
0.00000
23
-0.06640
-0.11970
0.00000
24
-0.11804
0.08138
0.00000
25
-0.01193
-0.07012
0.00000
26
-0.00012
0.06838
0.00000
27
-0.02348
-0.01339
0.00000
28
-0.16539
0.00046
0.00000
29
0.08677
0.03819
0.00000
30
0.03307
-0.03899
0.00000
31
-0.00500
-0.06929
0.00000
32
0.03699
0.16668
0.00000