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)
-0.53600
Diff mu Y
(Debye)
-1.68400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02332
0.00781
0.00000
2
0.02965
0.01087
0.00000
3
0.04094
-0.00533
0.00000
4
0.03342
0.00436
0.00000
5
-0.07922
0.02749
0.00000
6
-0.06614
-0.05911
0.00000
7
-0.01301
0.00673
0.00000
8
-0.02015
-0.02255
0.00000
9
0.01605
0.04141
0.00000
10
0.03376
-0.02854
0.00000
11
-0.09457
-0.01950
0.00000
12
-0.02503
-0.00984
0.00000
13
-0.01020
-0.03684
0.00000
14
-0.00878
0.03932
0.00000
15
0.09500
-0.01974
0.00000
16
0.02891
-0.00121
0.00000
17
0.01031
0.05825
0.00000
18
0.05676
-0.05977
0.00000
19
-0.05927
-0.02965
0.00000
20
0.02698
0.08832
0.00000
21
-0.05702
0.05602
0.00000
22
-0.00746
0.01784
0.00000
23
0.03339
0.09768
0.00000
24
0.07383
-0.07650
0.00000
25
0.00994
0.09535
0.00000
26
-0.07271
-0.23493
0.00000
27
-0.04510
0.07976
0.00000
28
0.01261
-0.00451
0.00000
29
-0.06801
-0.03285
0.00000
30
-0.09895
0.10417
0.00000
31
0.01417
0.07455
0.00000
32
-0.01776
-0.08677
0.00000