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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
0.51200
Eigenvectors
#
X
Y
Z
1
0.00000
0.03588
-0.04526
2
0.00000
-0.03588
-0.04526
3
0.00000
0.01084
-0.00009
4
0.00000
-0.01084
-0.00009
5
0.00000
0.09845
-0.01709
6
0.00000
-0.09845
-0.01709
7
0.00000
-0.00542
0.02877
8
0.00000
0.00542
0.02877
9
0.00000
0.02973
0.03188
10
0.00000
-0.02973
0.03188
11
0.00000
-0.02628
-0.01011
12
0.00000
0.02628
-0.01011
13
0.00000
-0.02902
-0.01358
14
0.00000
0.02902
-0.01358
15
0.00000
-0.00192
0.00824
16
0.00000
0.00192
0.00824
17
0.00000
0.01377
0.01279
18
0.00000
-0.01377
0.01279
19
0.00000
-0.00359
-0.01987
20
0.00000
0.00359
-0.01987
21
0.00000
-0.00379
0.15242
22
0.00000
0.00379
0.15242
23
0.00000
-0.15838
-0.08863
24
0.00000
0.15837
-0.08862
25
0.00000
-0.23322
0.09254
26
0.00000
0.23322
0.09254
27
0.00000
-0.22665
0.18877
28
0.00000
0.22664
0.18876
29
0.00000
0.01675
0.07957
30
0.00000
-0.01675
0.07956
31
0.00000
-0.20184
-0.13499
32
0.00000
0.20184
-0.13499