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)
-0.22900
Diff mu Y
(Debye)
-1.09600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05305
-0.00449
0.00000
2
-0.00606
-0.00325
0.00000
3
0.01734
-0.02679
0.00000
4
0.03698
0.04715
0.00000
5
0.02331
0.06622
0.00000
6
0.03761
-0.03904
0.00000
7
0.00829
-0.03194
0.00000
8
-0.03580
0.02008
0.00000
9
-0.02141
0.00191
0.00000
10
-0.02484
-0.01464
0.00000
11
0.03451
0.03100
0.00000
12
0.01019
0.00548
0.00000
13
0.00630
-0.01203
0.00000
14
0.01329
0.01024
0.00000
15
-0.00970
0.08705
0.00000
16
-0.00874
-0.00625
0.00000
17
-0.02018
0.01846
0.00000
18
-0.00154
-0.02163
0.00000
19
0.00930
-0.00772
0.00000
20
0.01274
-0.03709
0.00000
21
0.11259
-0.15728
0.00000
22
-0.02345
0.07479
0.00000
23
-0.06391
-0.10854
0.00000
24
-0.09160
0.05470
0.00000
25
-0.03897
-0.14603
0.00000
26
-0.15651
-0.52455
0.00000
27
-0.10015
0.14567
0.00000
28
-0.03228
-0.01125
0.00000
29
-0.13814
-0.04327
0.00000
30
0.20276
-0.23960
0.00000
31
0.01270
0.15031
0.00000
32
-0.02308
-0.18002
0.00000