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)
0.39200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00381
0.00000
0.00000
2
-0.00381
0.00000
0.00000
3
-0.02500
0.00000
0.00000
4
-0.02500
0.00000
0.00000
5
0.04394
0.00000
0.00000
6
0.04394
0.00000
0.00000
7
0.01355
0.00000
0.00000
8
0.01355
0.00000
0.00000
9
-0.03053
0.00000
0.00000
10
-0.03053
0.00000
0.00000
11
0.07215
0.00000
0.00000
12
0.07215
0.00000
0.00000
13
-0.07066
0.00000
0.00000
14
-0.07066
0.00000
0.00000
15
-0.01524
0.00000
0.00000
16
-0.01524
0.00000
0.00000
17
-0.01681
0.00000
0.00000
18
-0.01681
0.00000
0.00000
19
0.01231
0.00000
0.00000
20
0.01231
0.00000
0.00000
21
0.09558
0.00000
0.00000
22
0.09558
0.00000
0.00000
23
-0.37178
0.00000
0.00000
24
-0.37178
0.00000
0.00000
25
0.38117
0.00000
0.00000
26
0.38117
0.00000
0.00000
27
0.14849
0.00000
0.00000
28
0.14849
0.00000
0.00000
29
0.05639
0.00000
0.00000
30
0.05639
0.00000
0.00000
31
-0.07056
0.00000
0.00000
32
-0.07056
0.00000
0.00000