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)
1.40700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01748
0.07182
2
0.00000
-0.01748
-0.07182
3
0.00000
-0.02313
-0.00735
4
0.00000
-0.02312
0.00735
5
0.00000
0.04129
0.03292
6
0.00000
0.04129
-0.03293
7
0.00000
0.05414
-0.08851
8
0.00000
0.05414
0.08851
9
0.00000
-0.00690
-0.03284
10
0.00000
-0.00690
0.03285
11
0.00000
-0.00965
-0.02536
12
0.00000
-0.00966
0.02535
13
0.00000
-0.01002
-0.01628
14
0.00000
-0.01002
0.01628
15
0.00000
0.01141
-0.00254
16
0.00000
0.01141
0.00254
17
0.00000
-0.02250
0.01578
18
0.00000
-0.02250
-0.01579
19
0.00000
-0.01381
0.00129
20
0.00000
-0.01381
-0.00129
21
0.00000
0.01289
-0.02643
22
0.00000
0.01289
0.02643
23
0.00000
0.16846
0.08216
24
0.00000
0.16844
-0.08214
25
0.00000
-0.23928
0.10669
26
0.00000
-0.23929
-0.10669
27
0.00000
0.01510
-0.04741
28
0.00000
0.01510
0.04742
29
0.00000
-0.01969
0.33869
30
0.00000
-0.01969
-0.33870
31
0.00000
0.02256
0.02266
32
0.00000
0.02257
-0.02267