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)
0.22900
Diff mu Y
(Debye)
0.05000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00128
0.01838
0.00000
2
0.05648
-0.02193
0.00000
3
0.00149
-0.02662
0.00000
4
-0.04304
0.05454
0.00000
5
-0.00585
0.03546
0.00000
6
-0.03592
-0.00083
0.00000
7
-0.03852
0.10424
0.00000
8
0.00790
-0.11969
0.00000
9
0.00203
-0.09142
0.00000
10
-0.01934
0.07628
0.00000
11
0.01855
-0.02044
0.00000
12
0.04434
0.00762
0.00000
13
0.01193
-0.01360
0.00000
14
0.06571
-0.03127
0.00000
15
-0.02530
0.01679
0.00000
16
-0.08868
-0.00929
0.00000
17
-0.00469
0.04607
0.00000
18
0.02164
-0.04227
0.00000
19
-0.00239
0.01665
0.00000
20
-0.00114
-0.01995
0.00000
21
0.10955
-0.05298
0.00000
22
0.09784
0.12861
0.00000
23
0.06983
0.08511
0.00000
24
0.08099
-0.02017
0.00000
25
0.03844
-0.02386
0.00000
26
0.02296
0.01703
0.00000
27
-0.02690
0.07569
0.00000
28
0.10744
0.03117
0.00000
29
-0.02393
0.01349
0.00000
30
-0.05167
0.02988
0.00000
31
-0.03284
-0.04786
0.00000
32
0.00743
0.01716
0.00000