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)
0.15000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00010
-0.00011
2
0.00000
0.00010
0.00011
3
0.00000
-0.00112
0.00015
4
0.00000
-0.00112
-0.00015
5
0.00000
0.00077
-0.00012
6
0.00000
0.00077
0.00012
7
0.00000
0.00100
-0.00094
8
0.00000
0.00100
0.00094
9
0.00000
-0.00500
-0.00831
10
0.00000
-0.00500
0.00831
11
0.00000
0.01901
-0.02984
12
0.00000
0.01901
0.02984
13
0.00000
-0.01385
-0.02755
14
0.00000
-0.01385
0.02755
15
0.00000
-0.02015
0.00211
16
0.00000
-0.02015
-0.00211
17
0.00000
-0.02643
0.00010
18
0.00000
-0.02643
-0.00010
19
0.00000
-0.00299
0.00793
20
0.00000
-0.00299
-0.00793
21
0.00000
0.23038
-0.00107
22
0.00000
0.23038
0.00107
23
0.00000
-0.21667
0.34856
24
0.00000
-0.21667
-0.34856
25
0.00000
0.16901
0.30799
26
0.00000
0.16901
-0.30799
27
0.00000
0.05630
0.10046
28
0.00000
0.05630
-0.10046
29
0.00000
0.29756
-0.00656
30
0.00000
0.29756
0.00656
31
0.00000
0.04278
-0.07778
32
0.00000
0.04278
0.07778