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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.08291
0.00000
0.00000
2
-0.08291
0.00000
0.00000
3
0.01231
0.00000
0.00000
4
-0.01231
0.00000
0.00000
5
0.04403
0.00000
0.00000
6
-0.04403
0.00000
0.00000
7
-0.08632
0.00000
0.00000
8
0.08632
0.00000
0.00000
9
-0.06595
0.00000
0.00000
10
0.06595
0.00000
0.00000
11
0.00831
0.00000
0.00000
12
-0.00831
0.00000
0.00000
13
-0.00084
0.00000
0.00000
14
0.00084
0.00000
0.00000
15
0.00436
0.00000
0.00000
16
-0.00436
0.00000
0.00000
17
-0.05518
0.00000
0.00000
18
0.05518
0.00000
0.00000
19
0.09800
0.00000
0.00000
20
-0.09800
0.00000
0.00000
21
-0.05213
0.00000
0.00000
22
0.05213
0.00000
0.00000
23
-0.05706
0.00000
0.00000
24
0.05706
0.00000
0.00000
25
-0.09256
0.00000
0.00000
26
0.09256
0.00000
0.00000
27
-0.14602
0.00000
0.00000
28
0.14602
0.00000
0.00000
29
-0.04927
0.00000
0.00000
30
0.04927
0.00000
0.00000
31
0.24271
0.00000
0.00000
32
-0.24271
0.00000
0.00000