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)
-0.41800
Diff mu Y
(Debye)
1.35800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04243
-0.01548
0.00000
2
0.01691
0.03542
0.00000
3
-0.02729
0.04205
0.00000
4
0.02796
0.02577
0.00000
5
0.06040
-0.03870
0.00000
6
-0.01821
-0.05717
0.00000
7
0.08330
-0.06027
0.00000
8
-0.05915
-0.03406
0.00000
9
-0.01186
0.04066
0.00000
10
0.00934
-0.01558
0.00000
11
-0.02167
0.02209
0.00000
12
0.03489
0.02556
0.00000
13
-0.03453
0.01680
0.00000
14
0.00807
0.05383
0.00000
15
0.06120
0.00125
0.00000
16
-0.07464
-0.04242
0.00000
17
-0.00941
-0.05174
0.00000
18
0.01124
0.01655
0.00000
19
-0.00409
0.01610
0.00000
20
-0.02557
-0.03686
0.00000
21
-0.20471
0.28224
0.00000
22
0.01748
0.21713
0.00000
23
-0.06401
-0.10946
0.00000
24
0.00821
-0.02198
0.00000
25
0.02525
-0.03050
0.00000
26
-0.03954
0.00789
0.00000
27
0.11647
-0.06283
0.00000
28
0.22319
0.01241
0.00000
29
0.06034
0.03476
0.00000
30
-0.02129
0.05608
0.00000
31
0.03396
0.11954
0.00000
32
0.02981
0.16371
0.00000