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)
-0.30200
Diff mu Y
(Debye)
0.22700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02641
0.00765
0.00000
2
-0.04240
-0.02423
0.00000
3
0.04467
0.01362
0.00000
4
-0.00024
0.09960
0.00000
5
0.00750
-0.00294
0.00000
6
0.05501
-0.10987
0.00000
7
-0.04619
-0.01145
0.00000
8
0.00536
-0.00569
0.00000
9
-0.03468
0.02269
0.00000
10
0.00211
-0.01375
0.00000
11
0.01340
0.01802
0.00000
12
0.02365
-0.01980
0.00000
13
-0.00284
-0.00205
0.00000
14
0.01361
0.03672
0.00000
15
-0.00673
-0.05170
0.00000
16
0.01542
0.00516
0.00000
17
-0.00490
-0.01478
0.00000
18
-0.00588
0.00374
0.00000
19
-0.00304
0.00854
0.00000
20
-0.00833
0.01177
0.00000
21
-0.11627
0.06689
0.00000
22
-0.06185
-0.19390
0.00000
23
-0.00142
0.12985
0.00000
24
-0.09034
0.07957
0.00000
25
-0.08457
-0.35091
0.00000
26
0.05867
0.18231
0.00000
27
-0.25755
0.35300
0.00000
28
-0.03889
-0.00550
0.00000
29
0.02828
0.01707
0.00000
30
-0.04689
0.04793
0.00000
31
-0.03695
-0.13921
0.00000
32
0.02970
0.15540
0.00000