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)
0.23700
Diff mu Y
(Debye)
-0.71900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00017
-0.00011
0.00000
2
0.00014
0.00002
0.00000
3
-0.00005
0.00021
0.00000
4
-0.00005
-0.00010
0.00000
5
0.00051
0.00218
0.00000
6
-0.00022
0.00059
0.00000
7
0.00089
0.00086
0.00000
8
0.00015
-0.00005
0.00000
9
-0.01548
0.00491
0.00000
10
0.00892
0.00734
0.00000
11
-0.00053
0.00019
0.00000
12
-0.00296
0.00121
0.00000
13
0.02831
-0.00904
0.00000
14
-0.00083
-0.00067
0.00000
15
-0.00102
-0.00209
0.00000
16
0.00171
-0.00725
0.00000
17
-0.00577
0.00121
0.00000
18
0.01946
0.01926
0.00000
19
0.01189
-0.04895
0.00000
20
-0.03875
0.01188
0.00000
21
-0.01065
-0.00915
0.00000
22
-0.00092
0.00036
0.00000
23
0.18185
-0.06106
0.00000
24
-0.10769
-0.09505
0.00000
25
0.03785
-0.01314
0.00000
26
-0.32739
0.10532
0.00000
27
0.00560
0.00422
0.00000
28
-0.01670
0.08433
0.00000
29
-0.14194
0.59241
0.00000
30
-0.24404
-0.22916
0.00000
31
0.07813
-0.02195
0.00000
32
0.47249
-0.13780
0.00000