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)
-0.31100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01330
0.02211
2
0.00000
-0.01330
-0.02211
3
0.00000
0.09560
0.05231
4
0.00000
0.09560
-0.05231
5
0.00000
-0.00050
-0.04505
6
0.00000
-0.00050
0.04505
7
0.00000
-0.03203
-0.09366
8
0.00000
-0.03204
0.09366
9
0.00000
0.00836
-0.00034
10
0.00000
0.00836
0.00033
11
0.00000
-0.00635
0.00815
12
0.00000
-0.00635
-0.00814
13
0.00000
0.01742
-0.00089
14
0.00000
0.01742
0.00089
15
0.00000
-0.03291
0.01121
16
0.00000
-0.03291
-0.01121
17
0.00000
0.01233
-0.01839
18
0.00000
0.01233
0.01839
19
0.00000
-0.01687
0.02616
20
0.00000
-0.01687
-0.02617
21
0.00000
-0.03651
-0.04601
22
0.00000
-0.03651
0.04601
23
0.00000
-0.24756
-0.13660
24
0.00000
-0.24756
0.13660
25
0.00000
-0.01680
0.01476
26
0.00000
-0.01681
-0.01476
27
0.00000
-0.13287
0.08341
28
0.00000
-0.13288
-0.08341
29
0.00000
0.01219
0.23215
30
0.00000
0.01219
-0.23215
31
0.00000
0.04369
0.06320
32
0.00000
0.04369
-0.06320