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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.02200
Diff mu Y
(Debye)
-0.15700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02553
-0.03362
0.00000
2
-0.00120
-0.02947
0.00000
3
0.05430
-0.03146
0.00000
4
0.03843
0.00378
0.00000
5
-0.00875
-0.04587
0.00000
6
-0.06801
0.00230
0.00000
7
0.09674
-0.02192
0.00000
8
0.08563
-0.03057
0.00000
9
-0.07404
-0.02039
0.00000
10
-0.11088
-0.03003
0.00000
11
-0.02868
-0.01572
0.00000
12
0.04089
0.01649
0.00000
13
-0.02440
-0.03684
0.00000
14
-0.00890
0.02289
0.00000
15
-0.03732
0.00895
0.00000
16
0.01011
0.05931
0.00000
17
-0.05608
0.01423
0.00000
18
0.01084
0.03754
0.00000
19
0.02639
0.07396
0.00000
20
0.02220
0.05587
0.00000
21
0.09154
-0.01287
0.00000
22
0.07170
-0.07581
0.00000
23
-0.05530
0.03871
0.00000
24
-0.10193
-0.04093
0.00000
25
0.03171
-0.01100
0.00000
26
-0.03725
-0.07205
0.00000
27
0.03543
-0.02706
0.00000
28
-0.00332
0.05636
0.00000
29
0.02755
0.07503
0.00000
30
0.05560
-0.00828
0.00000
31
-0.05943
-0.00261
0.00000
32
0.02942
0.08748
0.00000