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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.74300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00042
0.00032
2
0.00000
-0.00042
-0.00032
3
0.00000
-0.00007
0.00057
4
0.00000
-0.00007
-0.00057
5
0.00000
-0.00026
0.00003
6
0.00000
-0.00026
-0.00003
7
0.00000
-0.00123
-0.00026
8
0.00000
-0.00123
0.00026
9
0.00000
-0.00090
-0.00111
10
0.00000
-0.00090
0.00111
11
0.00000
-0.02003
0.03355
12
0.00000
-0.02003
-0.03355
13
0.00000
-0.00129
-0.00406
14
0.00000
-0.00129
0.00406
15
0.00000
-0.01077
-0.00011
16
0.00000
-0.01077
0.00011
17
0.00000
-0.03763
-0.00083
18
0.00000
-0.03763
0.00083
19
0.00000
-0.00154
0.00449
20
0.00000
-0.00154
-0.00449
21
0.00000
0.12038
0.00023
22
0.00000
0.12038
-0.00023
23
0.00000
0.24867
-0.40876
24
0.00000
0.24867
0.40876
25
0.00000
0.02384
0.04281
26
0.00000
0.02384
-0.04281
27
0.00000
0.00893
0.01378
28
0.00000
0.00893
-0.01378
29
0.00000
0.45956
0.00393
30
0.00000
0.45956
-0.00393
31
0.00000
0.02136
-0.03747
32
0.00000
0.02136
0.03747