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)
0.13900
Diff mu Y
(Debye)
0.34900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02004
-0.00867
0.00000
2
0.00778
0.01791
0.00000
3
-0.03980
0.02533
0.00000
4
0.00616
0.06754
0.00000
5
-0.00664
-0.04056
0.00000
6
-0.00696
-0.05646
0.00000
7
0.06163
-0.07485
0.00000
8
-0.03813
0.01149
0.00000
9
0.00896
0.06218
0.00000
10
-0.00477
-0.01957
0.00000
11
0.01513
0.01132
0.00000
12
0.04606
-0.04247
0.00000
13
-0.01125
0.01447
0.00000
14
0.04643
0.03528
0.00000
15
0.00992
0.01990
0.00000
16
-0.13241
-0.01990
0.00000
17
-0.02187
-0.02713
0.00000
18
0.03333
-0.00286
0.00000
19
-0.03977
0.00529
0.00000
20
0.00660
-0.02696
0.00000
21
-0.14470
0.15858
0.00000
22
-0.01285
0.11166
0.00000
23
-0.05050
-0.10850
0.00000
24
0.02908
-0.06369
0.00000
25
0.11342
0.12982
0.00000
26
-0.02461
-0.01869
0.00000
27
0.08853
0.00283
0.00000
28
0.36213
0.08177
0.00000
29
0.09631
0.04056
0.00000
30
-0.03399
0.07177
0.00000
31
0.00651
0.08188
0.00000
32
0.04188
0.09220
0.00000