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)
0.18400
Diff mu Y
(Debye)
0.11500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00038
0.00008
0.00000
2
0.00064
0.00043
0.00000
3
0.00001
-0.00014
0.00000
4
0.00058
-0.00002
0.00000
5
-0.00087
-0.00085
0.00000
6
0.00031
0.00147
0.00000
7
0.00309
0.00188
0.00000
8
-0.01691
0.00537
0.00000
9
0.03675
-0.01125
0.00000
10
-0.02149
-0.01707
0.00000
11
0.00004
0.00009
0.00000
12
-0.01627
0.00514
0.00000
13
0.00294
-0.00071
0.00000
14
-0.04810
-0.04107
0.00000
15
-0.00019
0.00001
0.00000
16
0.00124
0.01085
0.00000
17
-0.00125
0.00025
0.00000
18
0.00035
0.00023
0.00000
19
-0.00051
0.00086
0.00000
20
0.00484
-0.00117
0.00000
21
-0.03374
-0.02707
0.00000
22
0.19090
-0.06242
0.00000
23
-0.41566
0.13755
0.00000
24
0.24125
0.20508
0.00000
25
0.18412
-0.06378
0.00000
26
-0.03257
0.01121
0.00000
27
0.54128
0.47174
0.00000
28
0.02252
-0.12600
0.00000
29
0.00296
-0.01153
0.00000
30
-0.00361
-0.00334
0.00000
31
0.01377
-0.00321
0.00000
32
-0.05440
0.01489
0.00000