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)
0.17200
Diff mu Y
(Debye)
-0.02300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00010
-0.00011
0.00000
2
-0.00002
0.00003
0.00000
3
-0.00029
0.00015
0.00000
4
0.00038
0.00143
0.00000
5
-0.00041
-0.00101
0.00000
6
0.00081
-0.00085
0.00000
7
0.00796
0.00574
0.00000
8
-0.01857
0.00594
0.00000
9
0.02566
-0.00793
0.00000
10
-0.02082
-0.01774
0.00000
11
0.00009
0.00004
0.00000
12
0.02088
-0.00745
0.00000
13
-0.01156
0.00428
0.00000
14
0.00593
0.00499
0.00000
15
0.00015
-0.00074
0.00000
16
-0.00235
0.00519
0.00000
17
-0.00862
0.00114
0.00000
18
0.02053
0.02120
0.00000
19
0.00796
-0.03324
0.00000
20
-0.04163
0.01250
0.00000
21
-0.08889
-0.07400
0.00000
22
0.21432
-0.07086
0.00000
23
-0.30013
0.10033
0.00000
24
0.23855
0.21098
0.00000
25
-0.23965
0.08156
0.00000
26
0.13523
-0.04163
0.00000
27
-0.06524
-0.05636
0.00000
28
0.01390
-0.06446
0.00000
29
-0.09011
0.39295
0.00000
30
-0.24763
-0.23678
0.00000
31
0.10416
-0.02595
0.00000
32
0.48997
-0.13882
0.00000