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)
0.10500
Diff mu Y
(Debye)
-0.31400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05529
0.01763
0.00000
2
-0.01108
0.01741
0.00000
3
0.01055
0.06304
0.00000
4
-0.05539
-0.04887
0.00000
5
0.06694
-0.05533
0.00000
6
-0.01389
0.06164
0.00000
7
-0.03407
-0.01309
0.00000
8
-0.10996
-0.03819
0.00000
9
0.02875
-0.01677
0.00000
10
-0.03848
-0.00669
0.00000
11
-0.03214
0.04902
0.00000
12
0.04089
-0.03347
0.00000
13
0.00335
-0.08397
0.00000
14
0.04863
0.09634
0.00000
15
-0.05406
-0.01121
0.00000
16
0.02843
0.01492
0.00000
17
0.00353
0.01683
0.00000
18
0.04558
0.01518
0.00000
19
0.03007
-0.03041
0.00000
20
-0.01426
-0.00190
0.00000
21
0.02939
-0.09126
0.00000
22
-0.11392
-0.04572
0.00000
23
0.05511
0.05848
0.00000
24
-0.02953
-0.01592
0.00000
25
0.05511
0.00893
0.00000
26
-0.02107
-0.16331
0.00000
27
0.04665
0.10040
0.00000
28
-0.05698
-0.00160
0.00000
29
0.02449
-0.03162
0.00000
30
0.03563
0.02588
0.00000
31
-0.01102
-0.04664
0.00000
32
0.00183
0.05837
0.00000