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)
0.03900
Diff mu Y
(Debye)
0.09000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06160
0.02514
0.00000
2
0.03670
0.03961
0.00000
3
-0.01579
-0.02543
0.00000
4
0.04166
-0.04486
0.00000
5
-0.10926
0.01471
0.00000
6
0.04291
0.07185
0.00000
7
-0.01860
-0.07832
0.00000
8
0.04224
-0.06917
0.00000
9
-0.10425
-0.01212
0.00000
10
0.00948
0.00536
0.00000
11
0.03077
-0.00416
0.00000
12
0.04817
-0.05159
0.00000
13
-0.04271
0.03261
0.00000
14
0.04513
0.07734
0.00000
15
0.02140
-0.01617
0.00000
16
0.01719
-0.00719
0.00000
17
0.01660
0.02774
0.00000
18
-0.00188
0.03217
0.00000
19
-0.01048
0.00798
0.00000
20
0.01800
-0.01977
0.00000
21
-0.03101
-0.06162
0.00000
22
0.05121
-0.04215
0.00000
23
-0.12650
-0.07872
0.00000
24
0.07530
-0.07057
0.00000
25
0.04574
-0.05920
0.00000
26
-0.01740
0.11227
0.00000
27
0.01753
0.10615
0.00000
28
-0.06302
-0.02349
0.00000
29
-0.04155
0.00101
0.00000
30
-0.01255
0.04456
0.00000
31
0.02315
0.04430
0.00000
32
0.01163
-0.04064
0.00000