Charge: 2
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+2
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)
-0.47800
Diff mu Y
(Debye)
-1.90700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04237
-0.01365
0.00000
2
-0.03406
-0.01476
0.00000
3
-0.07780
0.03215
0.00000
4
0.07218
0.10066
0.00000
5
-0.00418
0.04325
0.00000
6
-0.02484
0.02716
0.00000
7
0.07608
-0.03119
0.00000
8
-0.06354
-0.06403
0.00000
9
-0.01561
-0.03632
0.00000
10
0.01939
0.00392
0.00000
11
0.02356
-0.02496
0.00000
12
-0.02685
-0.09495
0.00000
13
-0.00550
-0.03299
0.00000
14
0.04604
-0.04525
0.00000
15
-0.00229
0.02775
0.00000
16
-0.01924
0.04316
0.00000
17
-0.00204
0.02111
0.00000
18
0.00115
-0.01219
0.00000
19
0.00860
0.01214
0.00000
20
-0.00571
-0.02059
0.00000
21
-0.10513
0.19729
0.00000
22
0.01378
0.19655
0.00000
23
0.02860
0.10051
0.00000
24
-0.01129
0.04516
0.00000
25
0.08786
0.23036
0.00000
26
0.02028
0.05050
0.00000
27
-0.08686
0.11102
0.00000
28
0.03109
0.06252
0.00000
29
-0.02024
0.00680
0.00000
30
-0.02562
0.01328
0.00000
31
-0.03094
-0.09294
0.00000
32
0.00654
0.02646
0.00000