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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.32300
Diff mu Y
(Debye)
-0.80600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00134
0.00365
0.00000
2
-0.03262
-0.01069
0.00000
3
-0.05536
0.10962
0.00000
4
-0.00659
0.02834
0.00000
5
0.04092
-0.10366
0.00000
6
0.00008
0.00091
0.00000
7
-0.00212
-0.00501
0.00000
8
0.03073
0.00067
0.00000
9
-0.01613
-0.02644
0.00000
10
0.01959
0.03387
0.00000
11
-0.00097
-0.12438
0.00000
12
0.02160
0.01015
0.00000
13
-0.04000
0.04955
0.00000
14
0.01761
-0.00837
0.00000
15
0.02958
0.05854
0.00000
16
-0.00779
-0.00662
0.00000
17
-0.01492
-0.00815
0.00000
18
0.03125
0.01648
0.00000
19
0.00234
-0.03380
0.00000
20
0.00170
0.03063
0.00000
21
0.14905
-0.17391
0.00000
22
-0.01384
-0.13412
0.00000
23
0.01657
0.05274
0.00000
24
-0.04579
0.10644
0.00000
25
-0.03629
-0.16941
0.00000
26
-0.05699
0.02050
0.00000
27
-0.03640
0.04897
0.00000
28
-0.07017
-0.02010
0.00000
29
-0.05425
-0.04708
0.00000
30
-0.05455
0.11067
0.00000
31
0.05913
0.23677
0.00000
32
-0.06538
-0.21384
0.00000