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)
0.00000
Diff mu Z
(Debye)
-0.33700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00009
0.00019
2
0.00000
-0.00009
0.00019
3
0.00000
0.00008
0.00009
4
0.00000
-0.00008
0.00009
5
0.00000
-0.00226
0.00142
6
0.00000
0.00226
0.00142
7
0.00000
0.00008
0.00023
8
0.00000
-0.00008
0.00023
9
0.00000
-0.02860
-0.04200
10
0.00000
0.02860
-0.04200
11
0.00000
-0.00669
0.00908
12
0.00000
0.00669
0.00908
13
0.00000
0.00645
0.01288
14
0.00000
-0.00644
0.01288
15
0.00000
0.02402
-0.00076
16
0.00000
-0.02402
-0.00076
17
0.00000
0.00830
-0.00046
18
0.00000
-0.00830
-0.00046
19
0.00000
-0.00486
0.00755
20
0.00000
0.00486
0.00755
21
0.00000
-0.27142
-0.00045
22
0.00000
0.27141
-0.00045
23
0.00000
0.07305
-0.11477
24
0.00000
-0.07305
-0.11477
25
0.00000
-0.07473
-0.13934
26
0.00000
0.07473
-0.13933
27
0.00000
0.28838
0.48184
28
0.00000
-0.28838
0.48184
29
0.00000
-0.09759
0.00157
30
0.00000
0.09759
0.00157
31
0.00000
0.05246
-0.08861
32
0.00000
-0.05247
-0.08862