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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.46400
Diff mu Y
(Debye)
-0.31900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04218
-0.00464
0.00000
2
0.04236
0.01948
0.00000
3
-0.00339
-0.02540
0.00000
4
-0.05307
0.01549
0.00000
5
-0.06027
-0.00481
0.00000
6
-0.00034
-0.05158
0.00000
7
-0.02815
0.03594
0.00000
8
0.01756
-0.02052
0.00000
9
0.03003
-0.03334
0.00000
10
-0.05163
0.07162
0.00000
11
0.02945
-0.00448
0.00000
12
0.03966
0.00091
0.00000
13
0.02878
0.03125
0.00000
14
0.06001
-0.00771
0.00000
15
-0.03695
0.01668
0.00000
16
-0.09574
-0.00236
0.00000
17
-0.02714
0.03379
0.00000
18
0.06930
-0.07397
0.00000
19
-0.02309
0.05334
0.00000
20
-0.01028
-0.06947
0.00000
21
0.08437
-0.09908
0.00000
22
0.03602
0.02299
0.00000
23
0.05346
0.01550
0.00000
24
0.14506
-0.15343
0.00000
25
0.04190
-0.01122
0.00000
26
-0.01069
-0.10006
0.00000
27
-0.00421
0.07926
0.00000
28
0.17679
0.05674
0.00000
29
-0.00857
0.06811
0.00000
30
-0.16482
0.17452
0.00000
31
-0.03163
0.03256
0.00000
32
0.04814
0.14985
0.00000