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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.18900
Diff mu Y
(Debye)
-0.22000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02026
-0.02416
0.00000
2
0.02736
-0.02504
0.00000
3
-0.09308
0.01836
0.00000
4
0.02289
-0.02978
0.00000
5
0.02292
0.01685
0.00000
6
0.03065
-0.00051
0.00000
7
-0.13268
0.05120
0.00000
8
-0.06551
0.06776
0.00000
9
0.02606
0.05130
0.00000
10
0.05011
0.05834
0.00000
11
0.02419
0.01649
0.00000
12
0.01303
-0.05089
0.00000
13
0.06781
0.01420
0.00000
14
-0.00137
-0.01244
0.00000
15
0.04959
0.00409
0.00000
16
-0.00723
-0.04114
0.00000
17
0.05411
-0.00924
0.00000
18
-0.01289
-0.03077
0.00000
19
-0.02548
-0.05322
0.00000
20
-0.01849
-0.03654
0.00000
21
-0.15304
0.07258
0.00000
22
-0.03284
0.17259
0.00000
23
0.02284
0.03999
0.00000
24
0.03834
0.07344
0.00000
25
0.00479
-0.07199
0.00000
26
0.07383
0.03402
0.00000
27
-0.01952
0.00984
0.00000
28
-0.02641
-0.04477
0.00000
29
-0.03076
-0.05622
0.00000
30
-0.04965
0.00579
0.00000
31
0.05974
0.01683
0.00000
32
-0.02704
-0.07176
0.00000