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)
0.18500
Diff mu Y
(Debye)
1.08900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00251
0.06527
0.00000
2
-0.00878
0.03022
0.00000
3
-0.02060
-0.04289
0.00000
4
0.07492
-0.05465
0.00000
5
0.03665
-0.07026
0.00000
6
-0.07408
-0.04786
0.00000
7
0.00665
0.00376
0.00000
8
-0.01955
0.02132
0.00000
9
-0.02936
-0.00670
0.00000
10
0.05265
-0.00088
0.00000
11
0.00254
-0.02874
0.00000
12
-0.01885
0.02285
0.00000
13
0.01229
0.05659
0.00000
14
0.02481
0.01395
0.00000
15
-0.04293
0.02925
0.00000
16
-0.00901
-0.00195
0.00000
17
0.03322
0.05565
0.00000
18
-0.01663
0.02369
0.00000
19
-0.07604
-0.02704
0.00000
20
0.04107
-0.02826
0.00000
21
0.00442
0.00164
0.00000
22
-0.07280
-0.14063
0.00000
23
-0.00500
0.06112
0.00000
24
0.00161
0.05944
0.00000
25
0.00618
0.09980
0.00000
26
-0.01811
-0.02834
0.00000
27
-0.06716
0.11978
0.00000
28
0.03001
0.00578
0.00000
29
0.29964
0.05655
0.00000
30
0.19539
-0.19740
0.00000
31
-0.04579
-0.25364
0.00000
32
0.07100
0.05747
0.00000