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)
0.68400
Diff mu Y
(Debye)
-0.65600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00022
-0.03947
0.00000
2
0.05103
0.01785
0.00000
3
-0.01132
0.03223
0.00000
4
-0.02490
0.05622
0.00000
5
0.00480
0.07409
0.00000
6
-0.06213
-0.00723
0.00000
7
0.01337
-0.00872
0.00000
8
-0.00837
-0.02011
0.00000
9
-0.01570
-0.09949
0.00000
10
0.00260
0.06418
0.00000
11
0.00900
-0.05080
0.00000
12
0.01089
-0.06147
0.00000
13
-0.00176
-0.04315
0.00000
14
0.08797
-0.05032
0.00000
15
-0.01114
0.04150
0.00000
16
-0.07794
0.03006
0.00000
17
0.00789
0.05989
0.00000
18
0.00643
-0.03838
0.00000
19
0.01362
0.02299
0.00000
20
-0.01042
-0.03632
0.00000
21
-0.04260
0.05639
0.00000
22
0.01707
0.06506
0.00000
23
0.07796
0.16535
0.00000
24
0.07626
-0.00746
0.00000
25
0.07652
0.11418
0.00000
26
0.04053
0.07739
0.00000
27
-0.10214
0.17128
0.00000
28
0.16025
0.08628
0.00000
29
-0.03588
0.01704
0.00000
30
-0.04738
0.01335
0.00000
31
-0.04387
-0.13419
0.00000
32
0.01189
0.04739
0.00000