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)
-0.25300
Diff mu Y
(Debye)
0.28600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04476
0.11289
0.00000
2
-0.03482
-0.10298
0.00000
3
-0.02608
-0.05825
0.00000
4
0.03463
-0.03470
0.00000
5
-0.04105
0.00576
0.00000
6
0.01028
0.06304
0.00000
7
0.02896
-0.05106
0.00000
8
-0.02195
0.05100
0.00000
9
0.01815
-0.02158
0.00000
10
-0.01428
0.02415
0.00000
11
-0.03092
0.02859
0.00000
12
0.02539
0.09892
0.00000
13
-0.01427
-0.05541
0.00000
14
0.05278
-0.04788
0.00000
15
0.04822
0.02240
0.00000
16
-0.05285
-0.02876
0.00000
17
-0.00051
0.01109
0.00000
18
0.00438
-0.01450
0.00000
19
-0.00098
-0.01098
0.00000
20
0.00280
0.02234
0.00000
21
-0.09082
0.08182
0.00000
22
-0.07321
-0.09638
0.00000
23
0.04196
0.04232
0.00000
24
0.01779
-0.00700
0.00000
25
-0.07142
-0.19688
0.00000
26
0.01316
0.03389
0.00000
27
-0.04544
0.05975
0.00000
28
-0.08486
-0.03602
0.00000
29
-0.07374
-0.02909
0.00000
30
-0.01031
0.00065
0.00000
31
-0.00327
0.00525
0.00000
32
-0.00855
-0.02587
0.00000