Charge: 0
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
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)
0.21300
Diff mu Y
(Debye)
1.18500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04212
-0.00468
0.00000
2
0.02264
0.02424
0.00000
3
-0.08575
-0.03518
0.00000
4
-0.08491
0.00811
0.00000
5
0.03455
0.01352
0.00000
6
0.03115
-0.01276
0.00000
7
0.02947
-0.00554
0.00000
8
0.03046
0.01646
0.00000
9
-0.02262
0.00774
0.00000
10
-0.01329
-0.00894
0.00000
11
-0.04236
0.02050
0.00000
12
0.00817
-0.03451
0.00000
13
-0.05339
0.00183
0.00000
14
-0.00612
-0.00892
0.00000
15
0.12714
-0.05311
0.00000
16
0.01158
0.02700
0.00000
17
0.00375
0.07488
0.00000
18
0.02591
-0.04577
0.00000
19
-0.06249
-0.02924
0.00000
20
0.00504
0.06462
0.00000
21
0.14480
-0.13497
0.00000
22
0.07480
0.14457
0.00000
23
-0.05664
-0.08817
0.00000
24
-0.07327
0.05318
0.00000
25
-0.00068
-0.05578
0.00000
26
-0.10600
-0.17166
0.00000
27
-0.03908
0.03111
0.00000
28
0.00769
0.02565
0.00000
29
0.03849
-0.00567
0.00000
30
0.02401
-0.04583
0.00000
31
-0.06070
-0.14433
0.00000
32
0.03404
0.15080
0.00000