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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.16900
Diff mu Y
(Debye)
-0.37300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01564
-0.04954
0.00000
2
-0.02443
-0.01391
0.00000
3
-0.00601
-0.08974
0.00000
4
-0.02396
0.01419
0.00000
5
0.01759
-0.00878
0.00000
6
-0.00096
0.02836
0.00000
7
0.01546
0.03968
0.00000
8
-0.00148
0.04796
0.00000
9
0.05131
0.00875
0.00000
10
-0.01216
0.01099
0.00000
11
0.06560
-0.06643
0.00000
12
-0.03061
-0.01249
0.00000
13
-0.10929
-0.02371
0.00000
14
0.04831
0.06120
0.00000
15
-0.03428
-0.02471
0.00000
16
0.00635
-0.06596
0.00000
17
0.10565
-0.00245
0.00000
18
-0.01382
0.00955
0.00000
19
-0.01310
0.06284
0.00000
20
-0.01328
0.03292
0.00000
21
-0.05687
0.11709
0.00000
22
-0.00789
0.02956
0.00000
23
0.06552
0.05160
0.00000
24
-0.03407
0.03504
0.00000
25
-0.01271
0.03915
0.00000
26
-0.13916
-0.11667
0.00000
27
-0.00527
0.11707
0.00000
28
-0.05269
-0.07570
0.00000
29
0.02097
0.07442
0.00000
30
-0.04387
0.04834
0.00000
31
0.14589
0.12987
0.00000
32
-0.01388
0.04146
0.00000