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)
-0.14900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00011
0.00022
2
0.00000
0.00011
0.00022
3
0.00000
-0.00109
0.00017
4
0.00000
0.00109
0.00017
5
0.00000
0.00134
-0.00104
6
0.00000
-0.00134
-0.00104
7
0.00000
0.00062
-0.00085
8
0.00000
-0.00062
-0.00085
9
0.00000
0.01844
0.02869
10
0.00000
-0.01844
0.02869
11
0.00000
0.01548
-0.02307
12
0.00000
-0.01548
-0.02307
13
0.00000
-0.00378
-0.00786
14
0.00000
0.00378
-0.00786
15
0.00000
-0.02454
0.00142
16
0.00000
0.02454
0.00142
17
0.00000
-0.02392
0.00064
18
0.00000
0.02392
0.00064
19
0.00000
0.00960
-0.01480
20
0.00000
-0.00960
-0.01480
21
0.00000
0.28430
-0.00109
22
0.00000
-0.28430
-0.00109
23
0.00000
-0.16892
0.27008
24
0.00000
0.16892
0.27008
25
0.00000
0.04467
0.08262
26
0.00000
-0.04467
0.08262
27
0.00000
-0.19169
-0.32838
28
0.00000
0.19169
-0.32838
29
0.00000
0.27595
-0.00545
30
0.00000
-0.27595
-0.00545
31
0.00000
-0.10342
0.17837
32
0.00000
0.10342
0.17837