Charge: 2
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+2
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)
0.16500
Diff mu Y
(Debye)
0.76600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02804
0.01524
0.00000
2
-0.00440
-0.00319
0.00000
3
-0.08269
0.06091
0.00000
4
-0.01478
0.01528
0.00000
5
0.02252
-0.01249
0.00000
6
-0.01692
-0.01123
0.00000
7
0.02790
-0.01672
0.00000
8
0.01864
0.00940
0.00000
9
-0.01206
0.00386
0.00000
10
0.01024
-0.00111
0.00000
11
-0.08078
-0.10983
0.00000
12
0.00579
-0.00566
0.00000
13
0.03172
0.01503
0.00000
14
0.00116
0.00583
0.00000
15
-0.04868
-0.00549
0.00000
16
0.00691
-0.00027
0.00000
17
0.04330
-0.00174
0.00000
18
0.01896
0.01424
0.00000
19
0.01542
0.00658
0.00000
20
-0.00503
-0.00994
0.00000
21
0.20432
-0.22409
0.00000
22
0.02002
0.00976
0.00000
23
-0.04420
-0.08985
0.00000
24
-0.00387
0.01542
0.00000
25
-0.01609
-0.07171
0.00000
26
0.09092
0.19182
0.00000
27
-0.03687
0.05014
0.00000
28
0.01977
0.00200
0.00000
29
0.03306
0.01253
0.00000
30
-0.00242
0.04291
0.00000
31
0.18503
0.55200
0.00000
32
-0.03620
-0.11828
0.00000