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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.43600
Diff mu Y
(Debye)
1.18200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00005
-0.00047
0.00000
2
-0.00006
-0.00058
0.00000
3
-0.00069
0.00022
0.00000
4
-0.00057
-0.00085
0.00000
5
-0.00017
0.00045
0.00000
6
0.00055
-0.00016
0.00000
7
0.00765
0.00723
0.00000
8
0.02108
-0.00801
0.00000
9
0.01804
-0.00589
0.00000
10
-0.02403
-0.02229
0.00000
11
0.00093
0.00096
0.00000
12
-0.00324
-0.00010
0.00000
13
0.02923
-0.00931
0.00000
14
-0.01487
-0.01401
0.00000
15
-0.00011
0.00008
0.00000
16
-0.00655
0.03574
0.00000
17
-0.03045
0.00769
0.00000
18
0.01031
0.00842
0.00000
19
-0.00213
0.00481
0.00000
20
0.02707
-0.00681
0.00000
21
-0.08348
-0.06980
0.00000
22
-0.24403
0.08231
0.00000
23
-0.21813
0.07332
0.00000
24
0.28834
0.25617
0.00000
25
0.02188
-0.00500
0.00000
26
-0.34678
0.11059
0.00000
27
0.18743
0.16721
0.00000
28
0.07952
-0.40383
0.00000
29
0.01549
-0.06344
0.00000
30
-0.11827
-0.11092
0.00000
31
0.34951
-0.09102
0.00000
32
-0.31302
0.08888
0.00000