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)
0.17100
Diff mu Y
(Debye)
-0.11900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00017
-0.00011
0.00000
2
0.00064
-0.00022
0.00000
3
-0.00019
-0.00018
0.00000
4
0.00177
0.00138
0.00000
5
0.00027
0.00040
0.00000
6
-0.00028
-0.00010
0.00000
7
0.01338
0.00736
0.00000
8
-0.07117
0.02329
0.00000
9
-0.01581
0.00485
0.00000
10
0.01022
0.00809
0.00000
11
0.00012
0.00022
0.00000
12
-0.01789
0.00610
0.00000
13
-0.00007
0.00000
0.00000
14
0.00845
0.00731
0.00000
15
0.00001
0.00030
0.00000
16
0.00145
-0.00579
0.00000
17
-0.00496
0.00114
0.00000
18
0.00140
0.00105
0.00000
19
-0.00115
0.00226
0.00000
20
0.01288
-0.00340
0.00000
21
-0.14354
-0.11511
0.00000
22
0.80701
-0.26533
0.00000
23
0.17955
-0.05943
0.00000
24
-0.11434
-0.09790
0.00000
25
0.20225
-0.07215
0.00000
26
0.00054
-0.00116
0.00000
27
-0.09517
-0.08343
0.00000
28
-0.01462
0.06967
0.00000
29
0.00769
-0.02994
0.00000
30
-0.01533
-0.01426
0.00000
31
0.05524
-0.01283
0.00000
32
-0.14596
0.03975
0.00000