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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.23900
Diff mu Y
(Debye)
0.16900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00784
0.04635
0.00000
2
0.00969
-0.04141
0.00000
3
0.00468
-0.00911
0.00000
4
-0.06237
-0.11421
0.00000
5
-0.03530
-0.01563
0.00000
6
0.06874
-0.02684
0.00000
7
0.01409
0.02742
0.00000
8
0.03060
-0.00062
0.00000
9
0.00320
-0.00259
0.00000
10
-0.01425
-0.00136
0.00000
11
0.07071
0.02606
0.00000
12
-0.02167
-0.00133
0.00000
13
-0.02846
-0.02575
0.00000
14
0.00497
0.00220
0.00000
15
0.04744
0.03867
0.00000
16
-0.00883
0.04850
0.00000
17
-0.03409
-0.04582
0.00000
18
-0.00798
0.02343
0.00000
19
0.00576
-0.00927
0.00000
20
-0.00679
0.00871
0.00000
21
-0.13315
0.19951
0.00000
22
0.08882
0.15374
0.00000
23
0.06677
0.18925
0.00000
24
-0.11146
0.10178
0.00000
25
0.06905
0.29811
0.00000
26
-0.06024
-0.11129
0.00000
27
-0.08355
0.10876
0.00000
28
0.05814
0.06833
0.00000
29
-0.12514
-0.04106
0.00000
30
-0.07051
0.08768
0.00000
31
-0.10225
-0.28571
0.00000
32
0.01880
0.09536
0.00000