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)
0.55700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02837
0.01991
2
0.00000
-0.02837
-0.01991
3
0.00000
-0.00646
0.00936
4
0.00000
-0.00646
-0.00936
5
0.00000
0.02253
0.01181
6
0.00000
0.02253
-0.01181
7
0.00000
-0.04136
-0.00408
8
0.00000
-0.04136
0.00408
9
0.00000
-0.01273
-0.02782
10
0.00000
-0.01273
0.02782
11
0.00000
0.03900
0.04727
12
0.00000
0.03900
-0.04727
13
0.00000
0.01981
-0.06109
14
0.00000
0.01981
0.06109
15
0.00000
-0.05494
0.00702
16
0.00000
-0.05494
-0.00702
17
0.00000
0.05414
0.00401
18
0.00000
0.05414
-0.00401
19
0.00000
-0.02357
0.00217
20
0.00000
-0.02357
-0.00217
21
0.00000
-0.06072
0.11549
22
0.00000
-0.06072
-0.11549
23
0.00000
0.23941
0.17661
24
0.00000
0.23941
-0.17661
25
0.00000
0.27829
-0.20802
26
0.00000
0.27829
0.20802
27
0.00000
0.01091
-0.04212
28
0.00000
0.01091
0.04212
29
0.00000
0.05757
0.10701
30
0.00000
0.05757
-0.10701
31
0.00000
-0.14501
-0.06928
32
0.00000
-0.14501
0.06928