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)
-0.50700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01018
2
0.00000
0.00000
0.00920
3
0.00000
0.00000
0.03731
4
0.00000
0.00000
-0.01453
5
0.00000
0.00000
-0.03130
6
0.00000
0.00000
-0.01873
7
0.00000
0.00000
-0.01203
8
0.00000
0.00000
0.00696
9
0.00000
0.00000
0.02308
10
0.00000
0.00000
0.02436
11
0.00000
0.00000
-0.06520
12
0.00000
0.00000
0.01260
13
0.00000
0.00000
0.04263
14
0.00000
0.00000
0.00332
15
0.00000
0.00000
0.02680
16
0.00000
0.00000
0.00437
17
0.00000
0.00000
0.09226
18
0.00000
0.00000
0.03842
19
0.00000
0.00000
-0.02706
20
0.00000
0.00000
-0.07922
21
0.00000
0.00000
-0.01624
22
0.00000
0.00000
0.00780
23
0.00000
0.00000
-0.11418
24
0.00000
0.00000
-0.15632
25
0.00000
0.00000
-0.05446
26
0.00000
0.00000
-0.25045
27
0.00000
0.00000
0.01267
28
0.00000
0.00000
-0.06053
29
0.00000
0.00000
0.20209
30
0.00000
0.00000
-0.29151
31
0.00000
0.00000
-0.47327
32
0.00000
0.00000
0.44363