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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.45700
Diff mu Y
(Debye)
0.00300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00016
-0.00017
0.00000
2
-0.00021
0.00011
0.00000
3
-0.00074
0.00081
0.00000
4
-0.00090
-0.00105
0.00000
5
0.00014
0.00073
0.00000
6
0.00054
-0.00064
0.00000
7
0.02632
0.02383
0.00000
8
0.00092
-0.00097
0.00000
9
-0.03492
0.01316
0.00000
10
-0.02211
-0.02125
0.00000
11
0.00057
0.00039
0.00000
12
-0.02810
0.00927
0.00000
13
-0.02531
0.00790
0.00000
14
-0.01104
-0.00970
0.00000
15
-0.00031
-0.00034
0.00000
16
-0.00020
0.00302
0.00000
17
-0.01117
0.00323
0.00000
18
-0.00368
-0.00440
0.00000
19
-0.00287
0.01496
0.00000
20
-0.02956
0.00762
0.00000
21
-0.30912
-0.26695
0.00000
22
0.01057
-0.00165
0.00000
23
0.40924
-0.13699
0.00000
24
0.26052
0.23202
0.00000
25
0.33899
-0.11262
0.00000
26
0.30292
-0.09814
0.00000
27
0.12839
0.11563
0.00000
28
-0.00020
-0.03441
0.00000
29
0.03759
-0.16428
0.00000
30
0.05113
0.04963
0.00000
31
0.13025
-0.03576
0.00000
32
0.33964
-0.10020
0.00000