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)
0.00800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02552
0.03885
2
0.00000
0.02552
-0.03885
3
0.00000
-0.02193
0.03669
4
0.00000
-0.02193
-0.03669
5
0.00000
0.05091
0.04988
6
0.00000
0.05091
-0.04988
7
0.00000
-0.07723
0.04113
8
0.00000
-0.07723
-0.04113
9
0.00000
0.03536
0.03268
10
0.00000
0.03536
-0.03268
11
0.00000
-0.01746
0.03901
12
0.00000
-0.01746
-0.03901
13
0.00000
0.05618
0.05159
14
0.00000
0.05618
-0.05159
15
0.00000
0.01646
0.03128
16
0.00000
0.01646
-0.03128
17
0.00000
-0.06227
0.07080
18
0.00000
-0.06227
-0.07080
19
0.00000
-0.01031
0.04278
20
0.00000
-0.01031
-0.04278
21
0.00000
0.01704
-0.01705
22
0.00000
0.01704
0.01705
23
0.00000
-0.01536
0.04069
24
0.00000
-0.01536
-0.04069
25
0.00000
0.07080
0.04348
26
0.00000
0.07080
-0.04348
27
0.00000
-0.00117
0.05402
28
0.00000
-0.00117
-0.05402
29
0.00000
-0.06239
0.10088
30
0.00000
-0.06239
-0.10088
31
0.00000
0.04790
0.07684
32
0.00000
0.04790
-0.07684