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)
-0.02600
Diff mu Y
(Debye)
0.11400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06727
0.11891
0.00000
2
-0.00643
-0.08471
0.00000
3
-0.04301
-0.08201
0.00000
4
0.02358
-0.00146
0.00000
5
-0.05702
0.03566
0.00000
6
-0.01315
0.02059
0.00000
7
0.03292
-0.04758
0.00000
8
-0.02633
0.04023
0.00000
9
0.02621
-0.00473
0.00000
10
-0.01851
0.02277
0.00000
11
-0.07896
0.03627
0.00000
12
0.01166
0.05589
0.00000
13
-0.01523
-0.07780
0.00000
14
0.02410
-0.01557
0.00000
15
0.09302
0.00121
0.00000
16
-0.01826
-0.02390
0.00000
17
0.01244
0.01986
0.00000
18
0.00784
-0.01950
0.00000
19
-0.00925
-0.01448
0.00000
20
-0.00267
0.03407
0.00000
21
-0.03310
0.02056
0.00000
22
-0.04728
-0.00600
0.00000
23
0.02829
-0.00474
0.00000
24
0.10693
-0.11037
0.00000
25
-0.04761
-0.12710
0.00000
26
0.00338
-0.02434
0.00000
27
-0.03517
0.04752
0.00000
28
-0.06183
-0.03461
0.00000
29
-0.07165
-0.03065
0.00000
30
0.00632
-0.01940
0.00000
31
0.02875
0.08389
0.00000
32
0.00127
0.04175
0.00000