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)
0.37000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00016
-0.00017
2
0.00000
-0.00016
-0.00017
3
0.00000
0.00022
0.00015
4
0.00000
-0.00022
0.00015
5
0.00000
-0.00263
0.00169
6
0.00000
0.00263
0.00169
7
0.00000
-0.00019
-0.00004
8
0.00000
0.00019
-0.00004
9
0.00000
-0.02293
-0.03644
10
0.00000
0.02293
-0.03644
11
0.00000
-0.00530
0.00693
12
0.00000
0.00530
0.00693
13
0.00000
0.01608
0.03008
14
0.00000
-0.01608
0.03008
15
0.00000
0.02010
-0.00139
16
0.00000
-0.02010
-0.00139
17
0.00000
0.00365
-0.00006
18
0.00000
-0.00365
-0.00006
19
0.00000
-0.00247
0.00372
20
0.00000
0.00247
0.00372
21
0.00000
-0.22257
0.00099
22
0.00000
0.22257
0.00099
23
0.00000
0.05731
-0.08983
24
0.00000
-0.05731
-0.08983
25
0.00000
-0.18818
-0.34117
26
0.00000
0.18818
-0.34117
27
0.00000
0.24670
0.41950
28
0.00000
-0.24670
0.41950
29
0.00000
-0.04305
0.00073
30
0.00000
0.04305
0.00073
31
0.00000
0.02574
-0.04344
32
0.00000
-0.02574
-0.04344