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)
-0.00700
Diff mu Y
(Debye)
0.24000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00876
-0.00628
0.00000
2
-0.05095
-0.01882
0.00000
3
0.01230
-0.04286
0.00000
4
-0.05006
-0.01552
0.00000
5
0.01864
0.06346
0.00000
6
-0.04252
-0.02051
0.00000
7
0.00607
-0.06488
0.00000
8
-0.03697
-0.06516
0.00000
9
0.01197
0.09298
0.00000
10
-0.03537
0.07140
0.00000
11
0.00795
-0.03516
0.00000
12
0.06644
0.02141
0.00000
13
0.01628
0.05806
0.00000
14
0.07307
-0.01984
0.00000
15
0.01876
0.01855
0.00000
16
0.10313
0.00381
0.00000
17
-0.01492
-0.02825
0.00000
18
-0.04659
-0.03211
0.00000
19
-0.03757
0.00551
0.00000
20
-0.02435
0.00739
0.00000
21
0.02245
-0.08389
0.00000
22
-0.05318
-0.11431
0.00000
23
0.02038
0.11857
0.00000
24
-0.08693
0.13084
0.00000
25
0.09318
0.10024
0.00000
26
0.01914
0.06465
0.00000
27
0.12756
-0.08171
0.00000
28
0.11573
0.00553
0.00000
29
-0.01424
0.01015
0.00000
30
-0.04208
-0.03701
0.00000
31
-0.00768
-0.00194
0.00000
32
-0.03440
-0.02967
0.00000