Charge: 0
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
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)
0.13500
Diff mu Y
(Debye)
-0.04300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05533
-0.00169
0.00000
2
-0.02211
0.00667
0.00000
3
-0.06172
-0.00503
0.00000
4
-0.00895
0.04200
0.00000
5
-0.05708
0.00110
0.00000
6
0.00580
-0.01850
0.00000
7
-0.05319
0.03492
0.00000
8
-0.02368
0.04973
0.00000
9
-0.03353
-0.03272
0.00000
10
-0.00256
-0.03198
0.00000
11
-0.04317
-0.01681
0.00000
12
0.03829
0.05604
0.00000
13
-0.04760
0.01329
0.00000
14
0.05234
-0.01096
0.00000
15
-0.03085
0.01158
0.00000
16
0.06676
0.02713
0.00000
17
0.01172
-0.07565
0.00000
18
0.08542
-0.06468
0.00000
19
0.10063
-0.01584
0.00000
20
0.04706
0.03295
0.00000
21
-0.06979
0.05029
0.00000
22
-0.01901
0.06508
0.00000
23
-0.04489
-0.06551
0.00000
24
0.00706
-0.04299
0.00000
25
0.05021
0.09263
0.00000
26
-0.04507
0.02261
0.00000
27
0.07734
-0.03895
0.00000
28
0.09681
0.03332
0.00000
29
0.14582
-0.00481
0.00000
30
0.11890
-0.09967
0.00000
31
-0.00482
-0.12986
0.00000
32
0.06531
0.09908
0.00000