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)
0.44400
Diff mu Y
(Debye)
-1.35200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01333
0.01385
0.00000
2
0.00420
-0.02710
0.00000
3
-0.04224
0.01411
0.00000
4
0.00348
0.02070
0.00000
5
0.00533
0.06068
0.00000
6
0.01166
-0.01079
0.00000
7
0.02056
0.05534
0.00000
8
-0.02319
-0.10860
0.00000
9
-0.01514
-0.00074
0.00000
10
0.01487
-0.02307
0.00000
11
0.03196
-0.05825
0.00000
12
0.02371
0.06317
0.00000
13
-0.00894
-0.08588
0.00000
14
-0.04400
0.05095
0.00000
15
-0.03152
0.03767
0.00000
16
0.00886
-0.04639
0.00000
17
0.02144
0.03729
0.00000
18
-0.03605
0.02440
0.00000
19
-0.00633
-0.04022
0.00000
20
0.03359
0.05040
0.00000
21
0.00745
0.07797
0.00000
22
0.09147
0.22517
0.00000
23
-0.00520
0.04454
0.00000
24
-0.05338
0.04856
0.00000
25
-0.05203
-0.16884
0.00000
26
0.08355
0.19731
0.00000
27
0.11217
-0.13203
0.00000
28
-0.02827
-0.06245
0.00000
29
-0.01935
-0.05038
0.00000
30
0.10371
-0.12573
0.00000
31
-0.04371
-0.21124
0.00000
32
-0.02478
-0.17065
0.00000