Charge: 2
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+2
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)
0.00900
Diff mu Y
(Debye)
0.39200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00453
0.00280
0.00000
2
-0.02812
0.00716
0.00000
3
-0.00303
-0.02528
0.00000
4
-0.00311
0.00096
0.00000
5
0.01856
0.02996
0.00000
6
-0.00658
0.01264
0.00000
7
-0.00028
0.00104
0.00000
8
0.00503
0.00835
0.00000
9
-0.00876
-0.00391
0.00000
10
0.00345
0.00053
0.00000
11
-0.02826
0.00912
0.00000
12
-0.00284
-0.01269
0.00000
13
-0.00793
-0.00948
0.00000
14
-0.00762
0.00265
0.00000
15
0.02473
0.01887
0.00000
16
0.01668
0.00288
0.00000
17
0.00767
-0.02133
0.00000
18
-0.01852
0.03895
0.00000
19
0.04409
0.01812
0.00000
20
-0.01734
-0.02635
0.00000
21
0.01475
-0.01824
0.00000
22
0.01280
0.03186
0.00000
23
-0.03019
-0.06000
0.00000
24
0.05493
-0.05802
0.00000
25
-0.04981
-0.15079
0.00000
26
-0.06186
-0.17122
0.00000
27
-0.03519
0.03118
0.00000
28
0.16647
0.03123
0.00000
29
0.49871
0.12254
0.00000
30
-0.28245
0.31694
0.00000
31
-0.05463
-0.26111
0.00000
32
-0.14221
-0.46905
0.00000