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)
0.69600
Diff mu Y
(Debye)
0.17400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00006
0.00014
0.00000
2
-0.00029
-0.00020
0.00000
3
0.00000
0.00035
0.00000
4
0.00014
0.00025
0.00000
5
0.00046
0.00082
0.00000
6
0.00062
0.00012
0.00000
7
0.00449
0.00338
0.00000
8
-0.01482
0.00505
0.00000
9
-0.02651
0.01077
0.00000
10
-0.03160
-0.03090
0.00000
11
-0.00036
-0.00058
0.00000
12
-0.00995
0.00387
0.00000
13
-0.00015
-0.00037
0.00000
14
-0.02969
-0.02341
0.00000
15
0.00003
0.00053
0.00000
16
0.00543
-0.02119
0.00000
17
0.02633
-0.00647
0.00000
18
-0.00726
-0.00421
0.00000
19
0.00624
-0.02899
0.00000
20
0.01564
-0.00290
0.00000
21
-0.05134
-0.04442
0.00000
22
0.17856
-0.05893
0.00000
23
0.30077
-0.10245
0.00000
24
0.37641
0.33533
0.00000
25
0.12756
-0.04498
0.00000
26
-0.00164
-0.00117
0.00000
27
0.32580
0.28568
0.00000
28
-0.04711
0.23456
0.00000
29
-0.07334
0.32373
0.00000
30
0.06948
0.06423
0.00000
31
-0.30565
0.08027
0.00000
32
-0.17105
0.04637
0.00000