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)
-0.22900
Eigenvectors
#
X
Y
Z
1
0.00000
0.06005
0.01223
2
0.00000
-0.06005
0.01223
3
0.00000
0.09179
0.03276
4
0.00000
-0.09179
0.03276
5
0.00000
0.02883
0.00280
6
0.00000
-0.02883
0.00280
7
0.00000
0.03691
-0.09374
8
0.00000
-0.03691
-0.09374
9
0.00000
0.01572
0.00034
10
0.00000
-0.01572
0.00034
11
0.00000
-0.03688
0.00234
12
0.00000
0.03688
0.00234
13
0.00000
-0.01822
-0.00771
14
0.00000
0.01822
-0.00771
15
0.00000
-0.00874
0.00262
16
0.00000
0.00874
0.00262
17
0.00000
-0.01387
0.04596
18
0.00000
0.01387
0.04596
19
0.00000
-0.02061
-0.00951
20
0.00000
0.02061
-0.00951
21
0.00000
-0.00970
0.01895
22
0.00000
0.00970
0.01895
23
0.00000
-0.26435
-0.13166
24
0.00000
0.26435
-0.13166
25
0.00000
-0.14006
0.05720
26
0.00000
0.14006
0.05720
27
0.00000
0.03807
-0.00988
28
0.00000
-0.03807
-0.00988
29
0.00000
-0.01562
0.18805
30
0.00000
0.01562
0.18805
31
0.00000
0.03091
0.01926
32
0.00000
-0.03091
0.01926