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)
-0.00400
Diff mu Y
(Debye)
1.45300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00003
0.00001
0.00000
2
0.00017
0.00019
0.00000
3
-0.00070
-0.00006
0.00000
4
0.00005
-0.00070
0.00000
5
-0.00027
-0.00056
0.00000
6
0.00046
-0.00021
0.00000
7
0.00704
0.00655
0.00000
8
0.01534
-0.00565
0.00000
9
0.01471
-0.00552
0.00000
10
0.01970
0.01935
0.00000
11
0.00033
0.00066
0.00000
12
0.00357
-0.00201
0.00000
13
-0.00400
0.00178
0.00000
14
0.03019
0.02499
0.00000
15
-0.00043
-0.00096
0.00000
16
-0.00400
0.01772
0.00000
17
-0.02804
0.00719
0.00000
18
0.01589
0.01237
0.00000
19
-0.00794
0.03605
0.00000
20
-0.03036
0.00709
0.00000
21
-0.07908
-0.06767
0.00000
22
-0.18221
0.05957
0.00000
23
-0.16832
0.05670
0.00000
24
-0.24255
-0.21501
0.00000
25
-0.05841
0.02067
0.00000
26
0.05020
-0.01477
0.00000
27
-0.34295
-0.30440
0.00000
28
0.04564
-0.19414
0.00000
29
0.09590
-0.40190
0.00000
30
-0.17042
-0.15539
0.00000
31
0.33366
-0.09429
0.00000
32
0.34073
-0.09801
0.00000