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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.10100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01106
-0.05932
2
0.00000
-0.01106
0.05932
3
0.00000
-0.01584
0.03437
4
0.00000
-0.01584
-0.03437
5
0.00000
0.04861
0.03598
6
0.00000
0.04861
-0.03598
7
0.00000
-0.00192
-0.05040
8
0.00000
-0.00192
0.05040
9
0.00000
0.00007
-0.01790
10
0.00000
0.00007
0.01790
11
0.00000
0.06635
0.05151
12
0.00000
0.06635
-0.05151
13
0.00000
-0.06750
0.05142
14
0.00000
-0.06750
-0.05142
15
0.00000
-0.00177
-0.06985
16
0.00000
-0.00177
0.06985
17
0.00000
0.00125
-0.00724
18
0.00000
0.00125
0.00724
19
0.00000
-0.01009
0.00897
20
0.00000
-0.01009
-0.00897
21
0.00000
-0.00307
-0.01659
22
0.00000
-0.00307
0.01659
23
0.00000
-0.24777
-0.13629
24
0.00000
-0.24777
0.13629
25
0.00000
0.11912
-0.04892
26
0.00000
0.11912
0.04892
27
0.00000
0.01361
-0.02628
28
0.00000
0.01361
0.02628
29
0.00000
0.00076
0.16859
30
0.00000
0.00076
-0.16859
31
0.00000
0.02095
0.02819
32
0.00000
0.02095
-0.02819