Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
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)
0.74500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00925
2
0.00000
0.00000
-0.00039
3
0.00000
0.00000
0.01627
4
0.00000
0.00000
0.01284
5
0.00000
0.00000
0.06069
6
0.00000
0.00000
0.00577
7
0.00000
0.00000
-0.01085
8
0.00000
0.00000
-0.00035
9
0.00000
0.00000
-0.00877
10
0.00000
0.00000
-0.03440
11
0.00000
0.00000
-0.02700
12
0.00000
0.00000
-0.02994
13
0.00000
0.00000
-0.13045
14
0.00000
0.00000
0.02111
15
0.00000
0.00000
0.06772
16
0.00000
0.00000
-0.00426
17
0.00000
0.00000
0.04483
18
0.00000
0.00000
-0.00587
19
0.00000
0.00000
-0.03119
20
0.00000
0.00000
-0.02600
21
0.00000
0.00000
0.04518
22
0.00000
0.00000
-0.00396
23
0.00000
0.00000
-0.00597
24
0.00000
0.00000
0.23285
25
0.00000
0.00000
0.15581
26
0.00000
0.00000
0.62234
27
0.00000
0.00000
-0.13562
28
0.00000
0.00000
0.04514
29
0.00000
0.00000
0.24398
30
0.00000
0.00000
0.00908
31
0.00000
0.00000
-0.21513
32
0.00000
0.00000
0.07186