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)
-0.13700
Diff mu Y
(Debye)
0.26900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05594
-0.00068
0.00000
2
-0.02378
0.00818
0.00000
3
-0.06212
-0.00470
0.00000
4
-0.01045
0.04401
0.00000
5
-0.05647
-0.00039
0.00000
6
0.00402
-0.01786
0.00000
7
-0.05150
0.03614
0.00000
8
-0.02327
0.05125
0.00000
9
-0.03395
-0.03144
0.00000
10
-0.00364
-0.03116
0.00000
11
-0.04224
-0.01903
0.00000
12
0.03841
0.05885
0.00000
13
-0.04596
0.01233
0.00000
14
0.05174
-0.01035
0.00000
15
-0.02907
0.01010
0.00000
16
0.06737
0.02790
0.00000
17
0.01170
-0.07610
0.00000
18
0.08274
-0.06574
0.00000
19
0.10002
-0.01925
0.00000
20
0.04959
0.03055
0.00000
21
-0.06625
0.05131
0.00000
22
-0.01858
0.06354
0.00000
23
-0.04425
-0.06401
0.00000
24
0.00806
-0.04374
0.00000
25
0.05116
0.09402
0.00000
26
-0.04278
0.02150
0.00000
27
0.07948
-0.04151
0.00000
28
0.10190
0.03411
0.00000
29
0.14073
-0.01058
0.00000
30
0.11622
-0.10081
0.00000
31
-0.00291
-0.12859
0.00000
32
0.06793
0.09388
0.00000