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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.08900
Diff mu Y
(Debye)
1.61200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03473
0.07174
0.00000
2
0.03676
-0.07258
0.00000
3
0.03797
-0.04413
0.00000
4
-0.02622
0.05220
0.00000
5
0.01767
-0.06381
0.00000
6
-0.03736
0.05915
0.00000
7
-0.05011
0.08420
0.00000
8
0.01147
-0.08167
0.00000
9
-0.00164
0.09501
0.00000
10
0.04346
-0.08794
0.00000
11
-0.02968
-0.00899
0.00000
12
0.01154
-0.01092
0.00000
13
-0.01058
0.01433
0.00000
14
0.02986
-0.02810
0.00000
15
0.02525
0.02088
0.00000
16
-0.02802
0.00271
0.00000
17
0.01310
0.02517
0.00000
18
-0.01474
-0.01265
0.00000
19
0.05067
0.02786
0.00000
20
-0.03526
-0.04656
0.00000
21
0.10175
-0.08729
0.00000
22
0.06525
0.07279
0.00000
23
-0.07057
-0.10351
0.00000
24
-0.09998
0.06852
0.00000
25
0.01730
0.00425
0.00000
26
-0.01693
0.00142
0.00000
27
-0.02745
0.03683
0.00000
28
0.02655
0.01347
0.00000
29
-0.07241
0.00066
0.00000
30
-0.03107
0.00274
0.00000
31
-0.00184
-0.03304
0.00000
32
-0.00268
0.07180
0.00000