Charge: 0
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.09500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02879
0.04495
2
0.00000
-0.02879
-0.04495
3
0.00000
-0.05178
0.04111
4
0.00000
-0.05178
-0.04111
5
0.00000
0.02965
0.05557
6
0.00000
0.02965
-0.05557
7
0.00000
0.05729
-0.01587
8
0.00000
0.05729
0.01587
9
0.00000
0.02989
0.05384
10
0.00000
0.02989
-0.05384
11
0.00000
-0.08187
0.02427
12
0.00000
-0.08188
-0.02427
13
0.00000
0.03834
0.01616
14
0.00000
0.03834
-0.01616
15
0.00000
-0.02725
-0.02204
16
0.00000
-0.02725
0.02204
17
0.00000
0.05093
-0.05792
18
0.00000
0.05093
0.05792
19
0.00000
-0.00738
-0.03868
20
0.00000
-0.00738
0.03868
21
0.00000
-0.02734
-0.09604
22
0.00000
-0.02734
0.09604
23
0.00000
-0.12530
-0.00144
24
0.00000
-0.12531
0.00144
25
0.00000
0.08471
-0.00941
26
0.00000
0.08471
0.00941
27
0.00000
-0.02608
0.08687
28
0.00000
-0.02608
-0.08687
29
0.00000
0.05165
-0.10463
30
0.00000
0.05165
0.10463
31
0.00000
-0.06505
-0.07294
32
0.00000
-0.06505
0.07294