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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.10600
Diff mu Y
(Debye)
0.06100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01129
-0.01457
0.00000
2
-0.00857
-0.04221
0.00000
3
-0.02545
0.01846
0.00000
4
-0.01104
-0.05400
0.00000
5
-0.00562
0.00609
0.00000
6
0.00986
-0.06960
0.00000
7
-0.03574
-0.01781
0.00000
8
-0.03433
-0.02683
0.00000
9
0.01603
-0.03483
0.00000
10
0.01544
-0.04523
0.00000
11
-0.01267
0.05344
0.00000
12
0.01045
-0.06250
0.00000
13
0.00015
0.03254
0.00000
14
0.01922
-0.08073
0.00000
15
-0.01303
0.07266
0.00000
16
0.02378
-0.08205
0.00000
17
-0.00816
0.06510
0.00000
18
0.02101
0.07958
0.00000
19
0.02577
0.10115
0.00000
20
0.01468
0.09935
0.00000
21
-0.02395
-0.03002
0.00000
22
-0.02529
-0.00430
0.00000
23
0.00713
-0.05925
0.00000
24
0.00054
-0.03069
0.00000
25
0.01902
-0.04285
0.00000
26
-0.00552
0.01643
0.00000
27
0.01999
-0.08377
0.00000
28
0.02725
-0.08271
0.00000
29
0.04559
0.10688
0.00000
30
0.03916
0.06289
0.00000
31
-0.00970
0.05305
0.00000
32
0.01905
0.11821
0.00000