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)
-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)
0.02900
Diff mu Y
(Debye)
0.08200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00294
-0.01675
0.00000
2
0.05666
0.00039
0.00000
3
0.01765
0.02249
0.00000
4
-0.04089
0.02054
0.00000
5
-0.05448
-0.00517
0.00000
6
-0.03752
-0.00242
0.00000
7
0.02004
-0.00707
0.00000
8
-0.01372
-0.04089
0.00000
9
0.02417
-0.02469
0.00000
10
-0.00493
0.02827
0.00000
11
-0.05640
-0.01265
0.00000
12
-0.01272
0.01971
0.00000
13
0.01173
0.03460
0.00000
14
-0.01401
-0.02411
0.00000
15
0.03964
0.00589
0.00000
16
0.08556
0.01052
0.00000
17
0.02619
-0.01866
0.00000
18
0.00066
0.04054
0.00000
19
-0.06387
-0.00895
0.00000
20
0.00460
-0.04466
0.00000
21
-0.09715
0.13689
0.00000
22
0.06721
0.20948
0.00000
23
0.06822
0.09339
0.00000
24
0.09102
-0.07766
0.00000
25
-0.08986
-0.18879
0.00000
26
-0.07211
-0.23424
0.00000
27
-0.13298
0.10219
0.00000
28
-0.30197
-0.06985
0.00000
29
0.29517
0.07879
0.00000
30
0.13479
-0.09182
0.00000
31
0.05292
0.07282
0.00000
32
0.08812
0.24358
0.00000