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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.01600
Diff mu Y
(Debye)
0.24300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00019
-0.00017
0.00000
2
-0.00015
0.00013
0.00000
3
-0.00004
0.00030
0.00000
4
0.00017
0.00046
0.00000
5
-0.00013
-0.00242
0.00000
6
0.00044
-0.00157
0.00000
7
0.00381
0.00277
0.00000
8
-0.00710
0.00228
0.00000
9
0.04632
-0.01520
0.00000
10
-0.03134
-0.02698
0.00000
11
-0.00014
-0.00016
0.00000
12
0.01172
-0.00425
0.00000
13
-0.02286
0.00749
0.00000
14
0.00015
-0.00064
0.00000
15
0.00032
0.00119
0.00000
16
-0.00570
0.02268
0.00000
17
-0.00340
0.00080
0.00000
18
0.00969
0.00963
0.00000
19
0.00522
-0.02243
0.00000
20
-0.01300
0.00389
0.00000
21
-0.04249
-0.03587
0.00000
22
0.08276
-0.02674
0.00000
23
-0.55629
0.18483
0.00000
24
0.37740
0.33359
0.00000
25
-0.14409
0.04917
0.00000
26
0.26471
-0.08226
0.00000
27
0.01285
0.01445
0.00000
28
0.05374
-0.26688
0.00000
29
-0.06431
0.26829
0.00000
30
-0.12057
-0.11318
0.00000
31
0.04473
-0.01266
0.00000
32
0.16103
-0.04851
0.00000