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)
-0.22500
Diff mu Y
(Debye)
-0.06100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00628
0.02519
0.00000
2
0.00895
0.00688
0.00000
3
0.03348
0.00014
0.00000
4
0.02088
-0.02661
0.00000
5
-0.01875
0.00330
0.00000
6
-0.00459
-0.03975
0.00000
7
-0.01762
0.00254
0.00000
8
-0.02052
0.01140
0.00000
9
-0.00835
0.01286
0.00000
10
0.00542
0.00919
0.00000
11
0.03708
-0.03355
0.00000
12
-0.11424
-0.03060
0.00000
13
-0.00160
-0.01239
0.00000
14
0.11166
0.00832
0.00000
15
0.00551
-0.02995
0.00000
16
-0.01133
0.07941
0.00000
17
-0.03372
0.01779
0.00000
18
0.00977
0.00373
0.00000
19
0.01996
-0.00846
0.00000
20
-0.04141
0.02053
0.00000
21
-0.00744
-0.01109
0.00000
22
0.01958
0.13507
0.00000
23
-0.02015
-0.02649
0.00000
24
-0.04491
0.06484
0.00000
25
-0.22226
-0.33894
0.00000
26
0.00916
0.01122
0.00000
27
0.36311
-0.26432
0.00000
28
-0.06645
0.07801
0.00000
29
0.12526
0.01891
0.00000
30
0.04723
-0.03799
0.00000
31
-0.01407
0.08126
0.00000
32
-0.03247
0.05181
0.00000