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)
0.19000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.12251
-0.03365
2
0.00000
0.12251
-0.03365
3
0.00000
0.04292
0.00894
4
0.00000
-0.04292
0.00894
5
0.00000
0.04441
0.06069
6
0.00000
-0.04441
0.06069
7
0.00000
0.00636
-0.00632
8
0.00000
-0.00636
-0.00632
9
0.00000
0.07029
-0.01780
10
0.00000
-0.07029
-0.01780
11
0.00000
0.00966
0.01185
12
0.00000
-0.00966
0.01185
13
0.00000
0.01773
-0.02193
14
0.00000
-0.01773
-0.02193
15
0.00000
-0.02745
-0.00882
16
0.00000
0.02745
-0.00882
17
0.00000
-0.01632
-0.04192
18
0.00000
0.01632
-0.04191
19
0.00000
0.02469
0.02681
20
0.00000
-0.02469
0.02681
21
0.00000
-0.03229
0.03061
22
0.00000
0.03229
0.03061
23
0.00000
-0.08948
-0.04683
24
0.00000
0.08948
-0.04683
25
0.00000
-0.20482
0.10024
26
0.00000
0.20483
0.10024
27
0.00000
0.02639
0.01684
28
0.00000
-0.02638
0.01685
29
0.00000
-0.01573
0.14994
30
0.00000
0.01573
0.14993
31
0.00000
-0.00486
0.01279
32
0.00000
0.00487
0.01279