Charge: 0
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
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)
0.20900
Diff mu Y
(Debye)
0.00800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00011
-0.00013
0.00000
2
0.00009
0.00004
0.00000
3
-0.00006
-0.00001
0.00000
4
0.00027
0.00007
0.00000
5
0.00031
0.00003
0.00000
6
-0.00034
0.00038
0.00000
7
0.00248
0.00157
0.00000
8
-0.00993
0.00321
0.00000
9
-0.00726
0.00212
0.00000
10
0.00676
0.00551
0.00000
11
0.00081
-0.00026
0.00000
12
-0.00523
0.00177
0.00000
13
-0.00657
0.00208
0.00000
14
-0.00787
-0.00674
0.00000
15
0.00047
-0.00203
0.00000
16
0.00039
0.00115
0.00000
17
-0.00433
0.00060
0.00000
18
0.00659
0.00656
0.00000
19
0.00680
-0.01669
0.00000
20
-0.07558
0.02031
0.00000
21
-0.02701
-0.02171
0.00000
22
0.11264
-0.03691
0.00000
23
0.08271
-0.02713
0.00000
24
-0.07519
-0.06518
0.00000
25
0.05944
-0.02080
0.00000
26
0.07612
-0.02135
0.00000
27
0.08891
0.07697
0.00000
28
0.00212
-0.01336
0.00000
29
-0.05394
0.21394
0.00000
30
-0.07573
-0.07186
0.00000
31
0.04888
-0.01143
0.00000
32
0.85740
-0.23389
0.00000