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)
0.15100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.04538
0.05858
2
0.00000
0.04538
-0.05858
3
0.00000
0.02585
0.09641
4
0.00000
0.02585
-0.09641
5
0.00000
0.00691
-0.00074
6
0.00000
0.00691
0.00074
7
0.00000
0.00533
0.05218
8
0.00000
0.00533
-0.05218
9
0.00000
-0.01167
-0.08146
10
0.00000
-0.01167
0.08146
11
0.00000
-0.00050
-0.00645
12
0.00000
-0.00050
0.00645
13
0.00000
-0.01413
-0.00766
14
0.00000
-0.01413
0.00766
15
0.00000
-0.03849
-0.00845
16
0.00000
-0.03849
0.00845
17
0.00000
-0.04988
-0.01146
18
0.00000
-0.04988
0.01146
19
0.00000
0.03547
-0.08041
20
0.00000
0.03547
0.08041
21
0.00000
-0.04078
0.02389
22
0.00000
-0.04078
-0.02389
23
0.00000
-0.05455
-0.03681
24
0.00000
-0.05455
0.03681
25
0.00000
0.01283
-0.02505
26
0.00000
0.01283
0.02505
27
0.00000
0.09537
-0.14599
28
0.00000
0.09537
0.14599
29
0.00000
-0.04750
0.01853
30
0.00000
-0.04750
-0.01853
31
0.00000
-0.01630
-0.11090
32
0.00000
-0.01630
0.11090