Charge: 2
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/q+2
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.20500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06780
-0.03310
2
0.00000
0.06780
0.03310
3
0.00000
-0.00987
-0.08653
4
0.00000
-0.00987
0.08653
5
0.00000
0.02809
0.00204
6
0.00000
0.02809
-0.00204
7
0.00000
-0.06729
-0.05460
8
0.00000
-0.06729
0.05460
9
0.00000
0.00766
-0.01234
10
0.00000
0.00766
0.01234
11
0.00000
-0.02092
-0.01440
12
0.00000
-0.02092
0.01440
13
0.00000
0.00910
0.06710
14
0.00000
0.00910
-0.06710
15
0.00000
-0.06878
0.02952
16
0.00000
-0.06878
-0.02952
17
0.00000
-0.00536
-0.03353
18
0.00000
-0.00536
0.03353
19
0.00000
0.05430
-0.05403
20
0.00000
0.05430
0.05403
21
0.00000
-0.06884
0.00307
22
0.00000
-0.06884
-0.00307
23
0.00000
0.06318
0.03867
24
0.00000
0.06318
-0.03867
25
0.00000
0.02894
0.05552
26
0.00000
0.02894
-0.05552
27
0.00000
0.01960
-0.01881
28
0.00000
0.01960
0.01881
29
0.00000
-0.00321
0.05942
30
0.00000
-0.00321
-0.05942
31
0.00000
0.02303
-0.07164
32
0.00000
0.02303
0.07164