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)
0.15500
Diff mu Y
(Debye)
0.38500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03787
0.01559
0.00000
2
0.01944
-0.06460
0.00000
3
-0.04397
0.08634
0.00000
4
0.04749
0.00704
0.00000
5
0.03137
0.09183
0.00000
6
-0.03813
0.01418
0.00000
7
-0.01240
0.02655
0.00000
8
0.00809
-0.01191
0.00000
9
0.00118
0.01189
0.00000
10
-0.01363
-0.00803
0.00000
11
0.05658
-0.05604
0.00000
12
-0.00785
0.02431
0.00000
13
0.02073
-0.00621
0.00000
14
0.00150
0.01466
0.00000
15
0.01451
-0.08028
0.00000
16
-0.00319
-0.02446
0.00000
17
-0.01484
-0.01716
0.00000
18
-0.00256
0.02493
0.00000
19
-0.00315
0.00844
0.00000
20
-0.02865
0.01594
0.00000
21
0.08539
-0.08228
0.00000
22
-0.09400
-0.32551
0.00000
23
-0.07786
-0.20828
0.00000
24
0.15652
-0.19956
0.00000
25
-0.00117
0.04314
0.00000
26
-0.05332
-0.26236
0.00000
27
0.03232
-0.02084
0.00000
28
0.00313
-0.02536
0.00000
29
0.04973
0.02106
0.00000
30
-0.03139
0.05679
0.00000
31
-0.04564
-0.14080
0.00000
32
0.04017
0.27460
0.00000