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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.87200
Diff mu Y
(Debye)
-0.43200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00045
0.00017
0.00000
2
0.00009
0.00005
0.00000
3
0.00084
-0.00095
0.00000
4
0.00057
0.00075
0.00000
5
0.00000
-0.00013
0.00000
6
-0.00003
0.00004
0.00000
7
-0.04354
-0.03930
0.00000
8
-0.01353
0.00683
0.00000
9
0.00046
-0.00014
0.00000
10
0.00031
0.00030
0.00000
11
0.00028
0.00125
0.00000
12
-0.00114
0.00027
0.00000
13
0.00045
-0.00004
0.00000
14
0.00047
0.00030
0.00000
15
0.00047
0.00016
0.00000
16
-0.00013
0.00067
0.00000
17
-0.05065
0.01438
0.00000
18
-0.01300
-0.01471
0.00000
19
0.00269
-0.00801
0.00000
20
0.00380
-0.00064
0.00000
21
0.50945
0.44972
0.00000
22
0.14488
-0.04954
0.00000
23
-0.00528
0.00165
0.00000
24
-0.00375
-0.00347
0.00000
25
0.01199
-0.00444
0.00000
26
-0.00590
0.00158
0.00000
27
-0.00444
-0.00401
0.00000
28
0.00149
-0.00812
0.00000
29
-0.02198
0.08602
0.00000
30
0.14744
0.14417
0.00000
31
0.58806
-0.16247
0.00000
32
-0.03870
0.01040
0.00000