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)
0.35900
Diff mu Y
(Debye)
0.35100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09494
0.08131
0.00000
2
0.02989
-0.10463
0.00000
3
0.06224
-0.00423
0.00000
4
-0.01488
0.05372
0.00000
5
0.06927
-0.01923
0.00000
6
0.04383
0.00567
0.00000
7
0.00158
-0.04771
0.00000
8
-0.00951
0.03221
0.00000
9
-0.01374
-0.08092
0.00000
10
-0.03118
0.06494
0.00000
11
-0.02047
-0.00140
0.00000
12
-0.01448
-0.03825
0.00000
13
0.00981
0.03295
0.00000
14
-0.04736
0.04348
0.00000
15
-0.02528
-0.02280
0.00000
16
0.02559
-0.01146
0.00000
17
0.00281
0.03815
0.00000
18
0.02863
-0.03706
0.00000
19
-0.03801
-0.00977
0.00000
20
0.02792
0.03271
0.00000
21
-0.12784
0.09836
0.00000
22
-0.02032
0.01694
0.00000
23
0.03718
0.05746
0.00000
24
0.04234
-0.01123
0.00000
25
0.02014
0.05990
0.00000
26
0.00354
0.00848
0.00000
27
0.15882
-0.19346
0.00000
28
0.03915
-0.01119
0.00000
29
0.01513
0.00202
0.00000
30
-0.04069
0.03573
0.00000
31
-0.01914
-0.04582
0.00000
32
-0.00973
-0.10860
0.00000