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)
-0.13600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02823
0.05112
2
0.00000
0.02823
-0.05112
3
0.00000
-0.04234
0.02271
4
0.00000
-0.04234
-0.02271
5
0.00000
-0.00234
0.02322
6
0.00000
-0.00234
-0.02322
7
0.00000
-0.08067
-0.01287
8
0.00000
-0.08067
0.01287
9
0.00000
0.00111
-0.03633
10
0.00000
0.00111
0.03633
11
0.00000
0.01377
-0.04956
12
0.00000
0.01377
0.04956
13
0.00000
-0.02245
0.01486
14
0.00000
-0.02245
-0.01486
15
0.00000
0.03840
0.01069
16
0.00000
0.03840
-0.01069
17
0.00000
0.10913
-0.00361
18
0.00000
0.10913
0.00361
19
0.00000
-0.03613
0.02296
20
0.00000
-0.03613
-0.02296
21
0.00000
0.04175
0.13741
22
0.00000
0.04175
-0.13741
23
0.00000
-0.03890
-0.08463
24
0.00000
-0.03890
0.08463
25
0.00000
-0.09778
0.05882
26
0.00000
-0.09778
-0.05882
27
0.00000
0.08154
-0.08470
28
0.00000
0.08154
0.08470
29
0.00000
0.11015
-0.01062
30
0.00000
0.11015
0.01062
31
0.00000
-0.17692
-0.06212
32
0.00000
-0.17692
0.06212