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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.02500
Diff mu Y
(Debye)
1.13700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02479
0.01595
0.00000
2
-0.02578
-0.00826
0.00000
3
0.05893
0.00225
0.00000
4
0.02292
0.02025
0.00000
5
-0.01765
-0.00051
0.00000
6
-0.04084
-0.03048
0.00000
7
-0.02749
-0.07535
0.00000
8
-0.01137
0.06118
0.00000
9
-0.00509
-0.03348
0.00000
10
0.02260
0.04260
0.00000
11
0.00350
-0.02417
0.00000
12
-0.00593
0.01319
0.00000
13
0.02177
-0.01040
0.00000
14
0.03014
0.02483
0.00000
15
-0.01246
0.02164
0.00000
16
-0.01803
-0.02234
0.00000
17
0.00501
-0.04119
0.00000
18
-0.03282
0.03598
0.00000
19
0.00122
-0.02882
0.00000
20
0.02944
0.02084
0.00000
21
0.11095
-0.25315
0.00000
22
0.09940
0.41178
0.00000
23
-0.09039
-0.29305
0.00000
24
-0.09748
0.18742
0.00000
25
0.00765
0.05330
0.00000
26
0.01600
-0.03510
0.00000
27
0.06889
-0.01449
0.00000
28
-0.17000
-0.05385
0.00000
29
-0.10608
-0.05822
0.00000
30
-0.17688
0.18810
0.00000
31
-0.01986
-0.15563
0.00000
32
0.08547
0.21678
0.00000