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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
-1.05800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00905
0.01883
2
0.00000
0.00905
0.01883
3
0.00000
-0.00534
-0.04402
4
0.00000
0.00534
-0.04402
5
0.00000
-0.01808
0.00087
6
0.00000
0.01808
0.00087
7
0.00000
-0.06108
0.03175
8
0.00000
0.06108
0.03175
9
0.00000
-0.00894
-0.00099
10
0.00000
0.00894
-0.00099
11
0.00000
0.05178
0.04561
12
0.00000
-0.05178
0.04561
13
0.00000
0.03483
-0.01441
14
0.00000
-0.03483
-0.01441
15
0.00000
-0.03316
-0.01902
16
0.00000
0.03316
-0.01902
17
0.00000
0.05579
0.00594
18
0.00000
-0.05579
0.00594
19
0.00000
-0.11934
-0.03817
20
0.00000
0.11934
-0.03817
21
0.00000
-0.03684
0.01793
22
0.00000
0.03684
0.01793
23
0.00000
-0.17217
-0.08989
24
0.00000
0.17217
-0.08989
25
0.00000
-0.08259
0.05022
26
0.00000
0.08259
0.05022
27
0.00000
0.00159
-0.00825
28
0.00000
-0.00159
-0.00825
29
0.00000
0.05998
0.07999
30
0.00000
-0.05998
0.07999
31
0.00000
0.13929
0.11214
32
0.00000
-0.13929
0.11214