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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
1.11100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03486
-0.01195
2
0.00000
-0.03486
0.01195
3
0.00000
-0.03427
-0.00683
4
0.00000
-0.03427
0.00683
5
0.00000
0.00173
-0.02097
6
0.00000
0.00173
0.02097
7
0.00000
-0.04201
-0.02018
8
0.00000
-0.04201
0.02018
9
0.00000
-0.09093
-0.04041
10
0.00000
-0.09093
0.04041
11
0.00000
-0.00725
0.04089
12
0.00000
-0.00725
-0.04089
13
0.00000
0.07916
-0.00258
14
0.00000
0.07916
0.00258
15
0.00000
0.10977
-0.00198
16
0.00000
0.10977
0.00198
17
0.00000
-0.01076
-0.02432
18
0.00000
-0.01075
0.02432
19
0.00000
0.02907
-0.04171
20
0.00000
0.02907
0.04171
21
0.00000
0.11340
-0.06781
22
0.00000
0.11340
0.06781
23
0.00000
-0.04990
0.01275
24
0.00000
-0.04990
-0.01275
25
0.00000
0.04785
0.01783
26
0.00000
0.04786
-0.01783
27
0.00000
-0.10092
-0.03572
28
0.00000
-0.10092
0.03571
29
0.00000
-0.00858
0.02949
30
0.00000
-0.00858
-0.02949
31
0.00000
0.00242
-0.05733
32
0.00000
0.00242
0.05733