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)
0.07900
Diff mu Y
(Debye)
0.51700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02230
-0.03827
0.00000
2
-0.02663
-0.01261
0.00000
3
0.00357
0.01407
0.00000
4
-0.01873
0.03704
0.00000
5
-0.01663
0.08167
0.00000
6
0.07229
0.01215
0.00000
7
-0.02792
0.02217
0.00000
8
0.02132
-0.01662
0.00000
9
0.01433
0.00660
0.00000
10
-0.04517
0.00138
0.00000
11
-0.00452
0.02880
0.00000
12
0.00875
-0.03659
0.00000
13
-0.03451
-0.09910
0.00000
14
-0.02192
0.01041
0.00000
15
0.06077
-0.01020
0.00000
16
-0.01284
0.00207
0.00000
17
-0.02968
-0.06153
0.00000
18
-0.00333
-0.00233
0.00000
19
0.09191
0.01461
0.00000
20
-0.04393
0.03893
0.00000
21
0.10231
-0.12176
0.00000
22
0.02458
-0.00334
0.00000
23
-0.00690
-0.04391
0.00000
24
0.00482
-0.05727
0.00000
25
0.03951
0.05332
0.00000
26
0.04867
0.14999
0.00000
27
0.09762
-0.11916
0.00000
28
0.07316
0.01864
0.00000
29
-0.33333
-0.08537
0.00000
30
-0.13605
0.13800
0.00000
31
0.05728
0.24758
0.00000
32
-0.08386
-0.08949
0.00000