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)
1.95400
Diff mu Y
(Debye)
1.17500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01915
-0.02756
0.00000
2
0.04643
0.02422
0.00000
3
-0.01328
-0.00092
0.00000
4
-0.02714
0.00221
0.00000
5
0.03789
0.04309
0.00000
6
-0.06116
0.00262
0.00000
7
0.00659
-0.00292
0.00000
8
0.00316
0.00321
0.00000
9
-0.03279
-0.05338
0.00000
10
0.03037
0.00794
0.00000
11
0.06274
0.07645
0.00000
12
0.01727
-0.00127
0.00000
13
0.00757
0.00659
0.00000
14
0.05007
-0.02841
0.00000
15
-0.03339
-0.06353
0.00000
16
-0.04907
0.00564
0.00000
17
-0.05093
-0.10220
0.00000
18
0.03022
0.03961
0.00000
19
-0.07812
-0.05346
0.00000
20
0.04989
0.08986
0.00000
21
0.01812
-0.01315
0.00000
22
0.00757
0.01557
0.00000
23
0.02036
0.11411
0.00000
24
-0.00147
0.05218
0.00000
25
0.02060
0.00073
0.00000
26
0.01039
0.00146
0.00000
27
-0.04981
0.09172
0.00000
28
0.05677
0.03055
0.00000
29
0.13412
-0.00873
0.00000
30
0.04676
0.03599
0.00000
31
0.01947
0.21483
0.00000
32
-0.01085
-0.15168
0.00000