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)
0.04000
Diff mu Y
(Debye)
-0.06200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.09822
0.01525
0.00000
2
-0.08618
-0.03032
0.00000
3
0.05982
0.01006
0.00000
4
-0.04046
0.00158
0.00000
5
0.04568
0.02340
0.00000
6
-0.04678
-0.02272
0.00000
7
-0.07194
-0.03422
0.00000
8
0.05698
0.02034
0.00000
9
-0.06870
-0.00395
0.00000
10
0.06137
0.01376
0.00000
11
0.02573
-0.01451
0.00000
12
0.02882
0.00689
0.00000
13
-0.01754
0.01290
0.00000
14
0.01321
0.01668
0.00000
15
-0.00071
0.00750
0.00000
16
-0.02389
-0.01600
0.00000
17
-0.01989
-0.00646
0.00000
18
0.01137
0.00439
0.00000
19
0.00511
-0.00015
0.00000
20
-0.01967
-0.00249
0.00000
21
-0.15647
0.06316
0.00000
22
0.13940
0.26648
0.00000
23
-0.13516
-0.19367
0.00000
24
0.18532
-0.12518
0.00000
25
0.09469
0.20029
0.00000
26
-0.04019
-0.06030
0.00000
27
0.05011
-0.02582
0.00000
28
-0.27418
-0.06536
0.00000
29
-0.01069
-0.00325
0.00000
30
0.06532
-0.05129
0.00000
31
-0.01382
0.01008
0.00000
32
-0.02986
-0.03810
0.00000