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)
0.16300
Diff mu Y
(Debye)
0.01400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02921
0.00654
0.00000
2
-0.02379
-0.00659
0.00000
3
-0.03323
0.08474
0.00000
4
-0.00126
0.00906
0.00000
5
-0.00470
-0.10451
0.00000
6
-0.01597
0.00199
0.00000
7
-0.01201
-0.00192
0.00000
8
0.02140
0.00080
0.00000
9
-0.00868
-0.01839
0.00000
10
0.03130
0.01745
0.00000
11
0.00364
-0.10159
0.00000
12
0.01687
0.02096
0.00000
13
-0.05623
0.02987
0.00000
14
0.01945
-0.00992
0.00000
15
0.06150
0.08360
0.00000
16
-0.00936
-0.00904
0.00000
17
-0.02778
-0.00761
0.00000
18
0.03573
0.00149
0.00000
19
-0.00104
-0.04660
0.00000
20
0.01620
0.05909
0.00000
21
0.06778
-0.09038
0.00000
22
-0.01916
-0.12543
0.00000
23
0.04878
0.14093
0.00000
24
-0.06991
0.13286
0.00000
25
-0.03318
-0.13648
0.00000
26
-0.09206
-0.03932
0.00000
27
-0.06319
0.08270
0.00000
28
-0.01716
-0.01150
0.00000
29
-0.15001
-0.08616
0.00000
30
-0.10632
0.14803
0.00000
31
0.02139
0.17077
0.00000
32
-0.07790
-0.29800
0.00000