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)
1.01200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00059
2
0.00000
0.00000
-0.06062
3
0.00000
0.00000
0.02679
4
0.00000
0.00000
0.00235
5
0.00000
0.00000
0.00947
6
0.00000
0.00000
0.03940
7
0.00000
0.00000
0.04145
8
0.00000
0.00000
0.02807
9
0.00000
0.00000
0.00648
10
0.00000
0.00000
-0.01376
11
0.00000
0.00000
-0.12922
12
0.00000
0.00000
-0.01053
13
0.00000
0.00000
-0.00949
14
0.00000
0.00000
0.00809
15
0.00000
0.00000
0.07917
16
0.00000
0.00000
0.03030
17
0.00000
0.00000
0.04264
18
0.00000
0.00000
-0.02889
19
0.00000
0.00000
0.08451
20
0.00000
0.00000
-0.00008
21
0.00000
0.00000
-0.24670
22
0.00000
0.00000
-0.23808
23
0.00000
0.00000
0.02095
24
0.00000
0.00000
-0.00411
25
0.00000
0.00000
-0.04983
26
0.00000
0.00000
-0.12412
27
0.00000
0.00000
-0.22166
28
0.00000
0.00000
-0.08640
29
0.00000
0.00000
-0.23556
30
0.00000
0.00000
-0.26200
31
0.00000
0.00000
0.10843
32
0.00000
0.00000
-0.39394