Charge: 2
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+2
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)
0.07500
Diff mu Y
(Debye)
-0.14200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00895
-0.02606
0.00000
2
0.00087
-0.01671
0.00000
3
-0.02399
-0.03712
0.00000
4
-0.00714
0.00856
0.00000
5
0.01486
0.01029
0.00000
6
0.01582
-0.01018
0.00000
7
-0.03373
-0.01137
0.00000
8
-0.01478
0.00348
0.00000
9
0.04280
0.04690
0.00000
10
0.05108
0.05961
0.00000
11
-0.03390
-0.04371
0.00000
12
-0.01189
0.02304
0.00000
13
-0.05095
-0.02493
0.00000
14
-0.00768
-0.01713
0.00000
15
-0.00193
-0.08390
0.00000
16
0.00017
0.01107
0.00000
17
-0.10650
0.04596
0.00000
18
0.02613
0.09513
0.00000
19
0.03170
0.03450
0.00000
20
0.12344
-0.07873
0.00000
21
-0.05686
0.01374
0.00000
22
-0.01371
0.01263
0.00000
23
0.04246
0.04222
0.00000
24
0.02620
0.09037
0.00000
25
-0.01111
0.02977
0.00000
26
-0.05415
-0.03601
0.00000
27
-0.00511
-0.01866
0.00000
28
0.03161
0.01861
0.00000
29
-0.11190
0.00035
0.00000
30
0.07700
0.03986
0.00000
31
-0.11172
0.02382
0.00000
32
0.12276
-0.08212
0.00000