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)
-0.06200
Diff mu Y
(Debye)
0.35500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05490
-0.01038
0.00000
2
0.00412
-0.01612
0.00000
3
-0.00288
-0.05511
0.00000
4
0.05000
0.05016
0.00000
5
-0.06711
0.05998
0.00000
6
0.01165
-0.06566
0.00000
7
0.04431
0.02181
0.00000
8
0.10917
0.04045
0.00000
9
-0.02481
0.01262
0.00000
10
0.03602
0.00627
0.00000
11
0.03302
-0.04563
0.00000
12
-0.04347
0.03129
0.00000
13
-0.00753
0.08507
0.00000
14
-0.04852
-0.10184
0.00000
15
0.05067
0.01099
0.00000
16
-0.02665
-0.02235
0.00000
17
0.00196
-0.01625
0.00000
18
-0.04225
-0.01868
0.00000
19
-0.03007
0.02295
0.00000
20
0.00728
0.00075
0.00000
21
-0.01483
0.09377
0.00000
22
0.11071
0.04123
0.00000
23
-0.05225
-0.06649
0.00000
24
0.02460
0.01740
0.00000
25
-0.05572
-0.00909
0.00000
26
0.01770
0.16592
0.00000
27
-0.04484
-0.10703
0.00000
28
0.05983
-0.00683
0.00000
29
-0.01626
0.02578
0.00000
30
-0.03658
-0.02390
0.00000
31
0.01729
0.04411
0.00000
32
-0.00976
-0.05948
0.00000