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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.02200
Diff mu Y
(Debye)
-0.16500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01827
0.03653
0.00000
2
-0.01314
0.03330
0.00000
3
0.04250
0.02453
0.00000
4
-0.02405
-0.01313
0.00000
5
-0.01068
0.00018
0.00000
6
-0.00342
0.03148
0.00000
7
0.05282
0.08938
0.00000
8
-0.05367
0.05758
0.00000
9
-0.03372
-0.02795
0.00000
10
-0.04133
-0.03818
0.00000
11
-0.00562
-0.05407
0.00000
12
0.00287
-0.06745
0.00000
13
0.04527
0.02448
0.00000
14
0.03883
0.03529
0.00000
15
0.06363
-0.00814
0.00000
16
0.00787
-0.08474
0.00000
17
-0.07689
-0.04766
0.00000
18
-0.05818
-0.05049
0.00000
19
-0.01052
0.06631
0.00000
20
0.06131
0.00167
0.00000
21
0.07794
0.06038
0.00000
22
-0.05852
0.04372
0.00000
23
-0.03160
-0.01693
0.00000
24
-0.01782
-0.06763
0.00000
25
0.01402
-0.04048
0.00000
26
0.06458
0.08251
0.00000
27
0.00268
0.07682
0.00000
28
-0.06278
-0.10125
0.00000
29
0.00441
0.06996
0.00000
30
0.01153
-0.12689
0.00000
31
-0.07158
-0.01053
0.00000
32
0.04145
-0.07573
0.00000