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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.13800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00375
2
0.00000
0.00000
-0.00104
3
0.00000
0.00000
0.01959
4
0.00000
0.00000
-0.01319
5
0.00000
0.00000
0.01094
6
0.00000
0.00000
-0.00673
7
0.00000
0.00000
-0.10003
8
0.00000
0.00000
0.07933
9
0.00000
0.00000
-0.03289
10
0.00000
0.00000
0.02702
11
0.00000
0.00000
-0.00701
12
0.00000
0.00000
0.00075
13
0.00000
0.00000
-0.01355
14
0.00000
0.00000
-0.00787
15
0.00000
0.00000
0.01422
16
0.00000
0.00000
0.02381
17
0.00000
0.00000
-0.02636
18
0.00000
0.00000
0.00638
19
0.00000
0.00000
0.02427
20
0.00000
0.00000
-0.02261
21
0.00000
0.00000
0.59358
22
0.00000
0.00000
-0.46615
23
0.00000
0.00000
0.19105
24
0.00000
0.00000
-0.16110
25
0.00000
0.00000
0.02984
26
0.00000
0.00000
0.03954
27
0.00000
0.00000
0.06686
28
0.00000
0.00000
-0.16664
29
0.00000
0.00000
-0.12784
30
0.00000
0.00000
-0.04525
31
0.00000
0.00000
0.19125
32
0.00000
0.00000
0.10732