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)
0.13100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05500
0.00000
0.00000
2
0.05500
0.00000
0.00000
3
-0.04182
0.00000
0.00000
4
-0.04182
0.00000
0.00000
5
0.01765
0.00000
0.00000
6
0.01765
0.00000
0.00000
7
-0.10131
0.00000
0.00000
8
-0.10131
0.00000
0.00000
9
0.00386
0.00000
0.00000
10
0.00386
0.00000
0.00000
11
0.01415
0.00000
0.00000
12
0.01415
0.00000
0.00000
13
-0.05378
0.00000
0.00000
14
-0.05378
0.00000
0.00000
15
0.04107
0.00000
0.00000
16
0.04107
0.00000
0.00000
17
0.09315
0.00000
0.00000
18
0.09315
0.00000
0.00000
19
-0.04416
0.00000
0.00000
20
-0.04416
0.00000
0.00000
21
0.06898
0.00000
0.00000
22
0.06898
0.00000
0.00000
23
-0.01440
0.00000
0.00000
24
-0.01440
0.00000
0.00000
25
-0.14078
0.00000
0.00000
26
-0.14077
0.00000
0.00000
27
-0.02648
0.00000
0.00000
28
-0.02648
0.00000
0.00000
29
0.32243
0.00000
0.00000
30
0.32243
0.00000
0.00000
31
-0.01697
0.00000
0.00000
32
-0.01697
0.00000
0.00000