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)
0.02000
Diff mu Y
(Debye)
-0.15200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01670
-0.01384
0.00000
2
-0.00985
-0.04195
0.00000
3
-0.02776
0.01784
0.00000
4
-0.01154
-0.05038
0.00000
5
-0.01187
0.00530
0.00000
6
0.01178
-0.07145
0.00000
7
-0.03592
-0.01542
0.00000
8
-0.03337
-0.02411
0.00000
9
0.01362
-0.03944
0.00000
10
0.01822
-0.04837
0.00000
11
-0.01324
0.05340
0.00000
12
0.00968
-0.05828
0.00000
13
-0.00640
0.03415
0.00000
14
0.02071
-0.08057
0.00000
15
-0.01466
0.07247
0.00000
16
0.02495
-0.08010
0.00000
17
-0.00474
0.06339
0.00000
18
0.02713
0.07724
0.00000
19
0.03187
0.09897
0.00000
20
0.01776
0.09983
0.00000
21
-0.02388
-0.02758
0.00000
22
-0.02500
-0.00393
0.00000
23
0.00191
-0.07181
0.00000
24
0.00495
-0.03579
0.00000
25
0.01817
-0.03803
0.00000
26
-0.01110
0.02061
0.00000
27
0.02257
-0.08417
0.00000
28
0.03194
-0.07934
0.00000
29
0.04046
0.10255
0.00000
30
0.04565
0.05937
0.00000
31
-0.00683
0.04910
0.00000
32
0.02423
0.12471
0.00000