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)
0.00000
Diff mu Z
(Debye)
1.08200
Eigenvectors
#
X
Y
Z
1
0.00000
0.12439
0.01709
2
0.00000
-0.12439
0.01709
3
0.00000
-0.05466
-0.01104
4
0.00000
0.05466
-0.01104
5
0.00000
-0.00517
-0.04542
6
0.00000
0.00517
-0.04542
7
0.00000
0.02389
0.00198
8
0.00000
-0.02389
0.00198
9
0.00000
-0.09812
0.02548
10
0.00000
0.09812
0.02548
11
0.00000
0.00357
0.00850
12
0.00000
-0.00357
0.00850
13
0.00000
-0.02289
0.02008
14
0.00000
0.02289
0.02008
15
0.00000
0.01770
-0.01790
16
0.00000
-0.01770
-0.01790
17
0.00000
0.00983
0.04919
18
0.00000
-0.00983
0.04919
19
0.00000
-0.02502
-0.03051
20
0.00000
0.02502
-0.03051
21
0.00000
0.01940
0.03448
22
0.00000
-0.01940
0.03448
23
0.00000
0.03504
0.02659
24
0.00000
-0.03504
0.02659
25
0.00000
0.12542
-0.05989
26
0.00000
-0.12542
-0.05989
27
0.00000
0.08921
-0.08932
28
0.00000
-0.08921
-0.08932
29
0.00000
0.00929
-0.09970
30
0.00000
-0.00929
-0.09970
31
0.00000
-0.00369
-0.02002
32
0.00000
0.00369
-0.02002