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)
0.12800
Diff mu Y
(Debye)
0.24000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05287
-0.00491
0.00000
2
0.01621
-0.00702
0.00000
3
-0.01121
0.01634
0.00000
4
0.01952
0.02946
0.00000
5
-0.01284
-0.00725
0.00000
6
0.04450
-0.04303
0.00000
7
0.02024
-0.04320
0.00000
8
-0.02445
0.03017
0.00000
9
0.00526
0.04721
0.00000
10
-0.01390
-0.04246
0.00000
11
-0.00185
0.00231
0.00000
12
0.03089
0.03050
0.00000
13
0.00396
-0.00657
0.00000
14
0.03340
-0.00871
0.00000
15
0.00273
-0.02814
0.00000
16
-0.06371
-0.00994
0.00000
17
-0.00112
0.00750
0.00000
18
-0.01211
0.00306
0.00000
19
0.01227
0.00727
0.00000
20
-0.00878
0.00084
0.00000
21
0.21006
-0.26588
0.00000
22
0.01725
0.16422
0.00000
23
0.11646
0.38634
0.00000
24
0.04926
-0.12133
0.00000
25
0.10434
0.23659
0.00000
26
0.02396
0.05879
0.00000
27
0.06510
-0.03741
0.00000
28
-0.47503
-0.08970
0.00000
29
0.17957
0.04652
0.00000
30
-0.07767
0.07157
0.00000
31
-0.02631
-0.09166
0.00000
32
-0.02199
-0.04157
0.00000