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)
0.31100
Diff mu Y
(Debye)
-0.27800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00029
-0.03848
0.00000
2
-0.00469
-0.02027
0.00000
3
-0.03380
0.00483
0.00000
4
-0.02164
0.02906
0.00000
5
0.01623
-0.00305
0.00000
6
0.00021
0.04120
0.00000
7
0.01778
-0.00208
0.00000
8
0.02203
-0.01466
0.00000
9
0.00901
-0.01509
0.00000
10
-0.00313
-0.00614
0.00000
11
-0.03916
0.04422
0.00000
12
0.10020
0.03773
0.00000
13
-0.00358
0.01770
0.00000
14
-0.10651
0.00561
0.00000
15
-0.00506
0.02684
0.00000
16
0.01612
-0.08838
0.00000
17
0.03221
-0.01416
0.00000
18
-0.01164
-0.00883
0.00000
19
-0.02081
0.00859
0.00000
20
0.04649
-0.02364
0.00000
21
0.01357
0.00373
0.00000
22
-0.01714
-0.13482
0.00000
23
0.01250
-0.00277
0.00000
24
0.04146
-0.05550
0.00000
25
0.21264
0.35055
0.00000
26
-0.00961
0.01070
0.00000
27
-0.34685
0.26710
0.00000
28
0.06915
-0.08769
0.00000
29
-0.10649
-0.01241
0.00000
30
-0.04682
0.02768
0.00000
31
0.01528
-0.07569
0.00000
32
0.03674
-0.06469
0.00000