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)
0.12900
Diff mu Y
(Debye)
0.41600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00340
0.00742
0.00000
2
-0.00099
0.01052
0.00000
3
0.03872
-0.01320
0.00000
4
0.03377
0.01251
0.00000
5
-0.03083
-0.00601
0.00000
6
-0.02959
-0.00852
0.00000
7
-0.00502
-0.04360
0.00000
8
-0.02618
0.03782
0.00000
9
0.01845
-0.03232
0.00000
10
0.00568
0.03511
0.00000
11
-0.01699
-0.02308
0.00000
12
-0.00834
0.00897
0.00000
13
0.03318
-0.01251
0.00000
14
0.00770
0.01399
0.00000
15
-0.02059
0.01898
0.00000
16
0.00151
-0.01954
0.00000
17
0.02848
-0.04958
0.00000
18
-0.02910
0.03969
0.00000
19
-0.01521
-0.01979
0.00000
20
0.05023
0.02187
0.00000
21
0.15801
-0.24473
0.00000
22
0.05521
0.30031
0.00000
23
-0.06643
-0.29249
0.00000
24
-0.18147
0.25084
0.00000
25
-0.00892
0.00982
0.00000
26
0.03046
-0.02488
0.00000
27
-0.00564
0.03080
0.00000
28
-0.00617
-0.02139
0.00000
29
-0.19215
-0.06412
0.00000
30
-0.26013
0.28374
0.00000
31
-0.01823
-0.23836
0.00000
32
0.12076
0.26382
0.00000