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)
-2.19300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05267
0.01235
2
0.00000
-0.05267
-0.01235
3
0.00000
0.04190
-0.06457
4
0.00000
0.04190
0.06457
5
0.00000
0.06084
0.06893
6
0.00000
0.06084
-0.06893
7
0.00000
0.00159
-0.00213
8
0.00000
0.00159
0.00213
9
0.00000
-0.01010
-0.02871
10
0.00000
-0.01010
0.02871
11
0.00000
0.00170
0.02198
12
0.00000
0.00170
-0.02198
13
0.00000
-0.01778
-0.02668
14
0.00000
-0.01778
0.02668
15
0.00000
-0.00908
0.01064
16
0.00000
-0.00908
-0.01064
17
0.00000
-0.02210
0.05188
18
0.00000
-0.02210
-0.05188
19
0.00000
0.04229
0.01846
20
0.00000
0.04229
-0.01846
21
0.00000
-0.00932
-0.06582
22
0.00000
-0.00932
0.06582
23
0.00000
-0.10797
-0.05141
24
0.00000
-0.10797
0.05141
25
0.00000
-0.10771
0.02051
26
0.00000
-0.10771
-0.02051
27
0.00000
0.05803
-0.06757
28
0.00000
0.05803
0.06757
29
0.00000
-0.02619
-0.27667
30
0.00000
-0.02619
0.27667
31
0.00000
-0.24237
-0.14405
32
0.00000
-0.24237
0.14405