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)
0.33900
Diff mu Y
(Debye)
0.17200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06146
-0.12280
0.00000
2
0.00951
0.10070
0.00000
3
0.06430
0.05389
0.00000
4
-0.00771
0.03145
0.00000
5
0.03948
-0.01092
0.00000
6
0.01075
-0.03757
0.00000
7
-0.04429
0.06617
0.00000
8
0.01259
-0.07133
0.00000
9
-0.01600
0.01804
0.00000
10
0.01084
-0.02499
0.00000
11
0.02020
-0.02653
0.00000
12
-0.02522
-0.07433
0.00000
13
0.01947
0.06436
0.00000
14
-0.05011
0.02787
0.00000
15
-0.05327
-0.02643
0.00000
16
0.04878
0.02438
0.00000
17
0.00461
0.00890
0.00000
18
0.00528
0.00027
0.00000
19
-0.01585
0.00426
0.00000
20
0.00868
-0.01083
0.00000
21
0.05932
-0.05115
0.00000
22
0.07618
0.10426
0.00000
23
-0.03586
-0.03105
0.00000
24
-0.05665
0.04637
0.00000
25
0.05908
0.17694
0.00000
26
-0.02497
-0.07749
0.00000
27
0.04986
-0.08893
0.00000
28
0.01027
0.01770
0.00000
29
0.08713
0.02821
0.00000
30
0.00869
-0.00210
0.00000
31
-0.00959
-0.04689
0.00000
32
0.00768
-0.01110
0.00000