Charge: 0
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
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)
-0.09000
Diff mu Y
(Debye)
0.12100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03435
0.01025
0.00000
2
-0.02331
-0.02025
0.00000
3
0.05081
0.00727
0.00000
4
0.00165
0.11275
0.00000
5
0.01336
-0.00027
0.00000
6
0.05473
-0.11302
0.00000
7
-0.05389
-0.01322
0.00000
8
-0.00069
-0.00878
0.00000
9
-0.04035
0.01773
0.00000
10
-0.00311
-0.00951
0.00000
11
0.01143
0.01943
0.00000
12
0.02866
-0.01983
0.00000
13
-0.00478
-0.00098
0.00000
14
0.01984
0.03169
0.00000
15
-0.00460
-0.05354
0.00000
16
0.00349
0.00412
0.00000
17
-0.00338
-0.01530
0.00000
18
-0.00567
0.00139
0.00000
19
-0.00856
0.00960
0.00000
20
-0.00385
0.01652
0.00000
21
-0.15453
0.10050
0.00000
22
-0.08325
-0.23700
0.00000
23
-0.01837
0.09145
0.00000
24
-0.10543
0.09288
0.00000
25
-0.04984
-0.26698
0.00000
26
0.05470
0.17659
0.00000
27
-0.20289
0.28944
0.00000
28
-0.19056
-0.03519
0.00000
29
0.01655
0.01644
0.00000
30
-0.04874
0.04779
0.00000
31
-0.04006
-0.14716
0.00000
32
0.03506
0.15642
0.00000