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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.09500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07360
2
0.00000
0.00000
0.00620
3
0.00000
0.00000
-0.10373
4
0.00000
0.00000
0.06018
5
0.00000
0.00000
-0.01931
6
0.00000
0.00000
0.05300
7
0.00000
0.00000
-0.05026
8
0.00000
0.00000
0.09127
9
0.00000
0.00000
-0.05201
10
0.00000
0.00000
-0.01174
11
0.00000
0.00000
-0.04337
12
0.00000
0.00000
-0.03294
13
0.00000
0.00000
0.10760
14
0.00000
0.00000
0.06520
15
0.00000
0.00000
0.03663
16
0.00000
0.00000
-0.06555
17
0.00000
0.00000
0.04238
18
0.00000
0.00000
0.03798
19
0.00000
0.00000
-0.06161
20
0.00000
0.00000
-0.00095
21
0.00000
0.00000
-0.07415
22
0.00000
0.00000
0.18349
23
0.00000
0.00000
-0.08221
24
0.00000
0.00000
-0.02458
25
0.00000
0.00000
-0.08478
26
0.00000
0.00000
0.23052
27
0.00000
0.00000
0.11815
28
0.00000
0.00000
-0.15427
29
0.00000
0.00000
-0.13260
30
0.00000
0.00000
0.09301
31
0.00000
0.00000
0.09736
32
0.00000
0.00000
0.00449