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)
-1.01400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03989
0.05262
2
0.00000
0.03989
-0.05262
3
0.00000
0.03290
0.09554
4
0.00000
0.03290
-0.09554
5
0.00000
0.01028
-0.00960
6
0.00000
0.01028
0.00960
7
0.00000
0.00993
0.05697
8
0.00000
0.00993
-0.05697
9
0.00000
-0.01102
-0.07579
10
0.00000
-0.01102
0.07579
11
0.00000
-0.00479
-0.00688
12
0.00000
-0.00479
0.00688
13
0.00000
-0.01604
-0.00356
14
0.00000
-0.01604
0.00356
15
0.00000
-0.03771
-0.00902
16
0.00000
-0.03771
0.00902
17
0.00000
-0.05389
-0.00987
18
0.00000
-0.05389
0.00987
19
0.00000
0.03698
-0.08440
20
0.00000
0.03698
0.08440
21
0.00000
-0.03922
0.01066
22
0.00000
-0.03922
-0.01066
23
0.00000
-0.06034
-0.04040
24
0.00000
-0.06034
0.04040
25
0.00000
0.00165
-0.01174
26
0.00000
0.00165
0.01174
27
0.00000
0.09084
-0.13519
28
0.00000
0.09084
0.13519
29
0.00000
-0.05161
0.03658
30
0.00000
-0.05161
-0.03658
31
0.00000
-0.01911
-0.11772
32
0.00000
-0.01911
0.11772