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)
-0.04800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00873
-0.00167
2
0.00000
-0.00873
0.00167
3
0.00000
0.01604
-0.01511
4
0.00000
0.01604
0.01511
5
0.00000
0.01502
0.00255
6
0.00000
0.01502
-0.00255
7
0.00000
-0.01173
0.08098
8
0.00000
-0.01174
-0.08098
9
0.00000
-0.00295
0.00051
10
0.00000
-0.00295
-0.00051
11
0.00000
-0.01485
-0.00212
12
0.00000
-0.01485
0.00212
13
0.00000
-0.01352
0.00437
14
0.00000
-0.01352
-0.00437
15
0.00000
0.00736
0.00027
16
0.00000
0.00736
-0.00027
17
0.00000
-0.01805
-0.13553
18
0.00000
-0.01805
0.13553
19
0.00000
0.04274
0.09190
20
0.00000
0.04274
-0.09190
21
0.00000
0.00785
0.00432
22
0.00000
0.00785
-0.00432
23
0.00000
-0.00695
0.00377
24
0.00000
-0.00695
-0.00377
25
0.00000
0.01362
-0.01095
26
0.00000
0.01362
0.01095
27
0.00000
0.00918
-0.00627
28
0.00000
0.00918
0.00627
29
0.00000
-0.01780
0.18819
30
0.00000
-0.01780
-0.18819
31
0.00000
-0.14079
-0.00617
32
0.00000
-0.14079
0.00617