Charge: 0
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
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)
-0.43800
Diff mu Y
(Debye)
-0.01900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02576
0.00195
0.00000
2
0.06177
-0.00452
0.00000
3
0.01779
-0.02779
0.00000
4
-0.04780
0.01965
0.00000
5
0.01741
0.03007
0.00000
6
-0.05600
0.00615
0.00000
7
-0.02853
0.05092
0.00000
8
0.01578
-0.04256
0.00000
9
-0.01121
-0.04967
0.00000
10
0.00921
0.02512
0.00000
11
0.02169
0.05909
0.00000
12
0.03578
0.00741
0.00000
13
0.00669
-0.00128
0.00000
14
0.07265
-0.03605
0.00000
15
-0.02081
-0.04853
0.00000
16
-0.08353
-0.00051
0.00000
17
-0.01521
-0.09596
0.00000
18
-0.00396
0.06615
0.00000
19
-0.06237
-0.05425
0.00000
20
0.05081
0.08238
0.00000
21
0.08259
-0.07578
0.00000
22
0.04651
0.04903
0.00000
23
0.02914
0.07119
0.00000
24
0.03026
0.00596
0.00000
25
0.02883
-0.01141
0.00000
26
0.00656
-0.00489
0.00000
27
-0.04359
0.09685
0.00000
28
0.08450
0.03624
0.00000
29
0.13364
-0.01285
0.00000
30
0.09583
-0.03569
0.00000
31
0.05822
0.16220
0.00000
32
-0.00942
-0.13540
0.00000