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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.03300
Diff mu Y
(Debye)
0.31600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02544
-0.04032
0.00000
2
0.02338
-0.02243
0.00000
3
0.00817
0.04977
0.00000
4
-0.01136
0.04816
0.00000
5
0.00895
0.10699
0.00000
6
-0.04250
0.08341
0.00000
7
0.01373
-0.03417
0.00000
8
-0.00483
0.01428
0.00000
9
-0.01621
-0.00527
0.00000
10
0.03147
-0.04176
0.00000
11
0.01905
-0.01790
0.00000
12
-0.01901
-0.06771
0.00000
13
-0.01459
-0.11653
0.00000
14
0.04521
-0.07724
0.00000
15
-0.00333
0.03038
0.00000
16
0.00326
0.04108
0.00000
17
-0.00614
-0.03246
0.00000
18
0.00500
0.03344
0.00000
19
-0.05686
-0.04113
0.00000
20
0.04102
0.04681
0.00000
21
-0.06057
0.04964
0.00000
22
-0.00696
0.02072
0.00000
23
0.00247
0.06494
0.00000
24
-0.07206
0.07026
0.00000
25
0.03329
0.09695
0.00000
26
0.07781
0.15480
0.00000
27
-0.11323
0.09470
0.00000
28
-0.04052
0.03801
0.00000
29
0.10103
-0.00900
0.00000
30
0.06518
-0.02358
0.00000
31
0.01189
0.02151
0.00000
32
0.01388
-0.07182
0.00000