Charge: 2
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+2
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)
0.17300
Diff mu Y
(Debye)
1.00500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03421
-0.02037
0.00000
2
0.04277
0.03786
0.00000
3
0.04614
0.00735
0.00000
4
-0.03993
-0.04371
0.00000
5
0.01512
-0.01208
0.00000
6
-0.01990
-0.03904
0.00000
7
-0.01795
-0.00866
0.00000
8
0.01977
0.03202
0.00000
9
-0.00229
-0.02659
0.00000
10
-0.00429
0.02887
0.00000
11
-0.08042
-0.01786
0.00000
12
0.02317
0.04362
0.00000
13
0.00361
0.04200
0.00000
14
0.00413
0.01833
0.00000
15
0.03951
-0.05576
0.00000
16
-0.02042
-0.02006
0.00000
17
0.06546
0.02813
0.00000
18
-0.10692
0.04589
0.00000
19
0.11716
-0.01036
0.00000
20
-0.03787
0.03751
0.00000
21
-0.02583
-0.00779
0.00000
22
-0.01220
-0.06933
0.00000
23
0.02115
0.03418
0.00000
24
0.05046
-0.03021
0.00000
25
-0.02675
-0.10316
0.00000
26
-0.03263
-0.07895
0.00000
27
0.02017
0.00219
0.00000
28
0.02487
-0.01437
0.00000
29
-0.22421
-0.09571
0.00000
30
0.10996
-0.19283
0.00000
31
0.02390
-0.15904
0.00000
32
-0.07925
-0.08372
0.00000