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)
0.05500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03265
0.03012
2
0.00000
0.03265
0.03012
3
0.00000
-0.02248
0.07289
4
0.00000
0.02248
0.07289
5
0.00000
-0.04222
-0.02886
6
0.00000
0.04223
-0.02886
7
0.00000
0.01984
0.00034
8
0.00000
-0.01984
0.00034
9
0.00000
0.00067
0.00795
10
0.00000
-0.00067
0.00795
11
0.00000
-0.01685
0.06563
12
0.00000
0.01685
0.06563
13
0.00000
-0.04711
-0.09051
14
0.00000
0.04711
-0.09051
15
0.00000
0.09057
-0.00551
16
0.00000
-0.09057
-0.00551
17
0.00000
0.04965
-0.02449
18
0.00000
-0.04965
-0.02449
19
0.00000
0.00674
-0.01715
20
0.00000
-0.00674
-0.01715
21
0.00000
0.08920
0.02863
22
0.00000
-0.08920
0.02863
23
0.00000
-0.11932
0.00204
24
0.00000
0.11932
0.00204
25
0.00000
-0.12268
-0.04907
26
0.00000
0.12268
-0.04907
27
0.00000
0.03434
-0.01287
28
0.00000
-0.03433
-0.01287
29
0.00000
0.05170
-0.05585
30
0.00000
-0.05170
-0.05585
31
0.00000
-0.02342
-0.03692
32
0.00000
0.02342
-0.03692