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)
0.15600
Diff mu Y
(Debye)
-0.25700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00011
-0.00002
0.00000
2
-0.00010
0.00028
0.00000
3
0.00001
-0.00006
0.00000
4
-0.00015
0.00016
0.00000
5
-0.00055
-0.00347
0.00000
6
0.00039
-0.00020
0.00000
7
-0.00152
-0.00078
0.00000
8
0.00577
-0.00189
0.00000
9
0.02390
-0.00732
0.00000
10
-0.01127
-0.00854
0.00000
11
0.00010
-0.00012
0.00000
12
0.00764
-0.00259
0.00000
13
-0.06492
0.02048
0.00000
14
-0.00141
-0.00125
0.00000
15
0.00146
0.00347
0.00000
16
-0.00070
0.00209
0.00000
17
0.00313
-0.00104
0.00000
18
0.00086
0.00044
0.00000
19
-0.00433
0.01156
0.00000
20
0.03266
-0.00957
0.00000
21
0.01622
0.01287
0.00000
22
-0.06446
0.02091
0.00000
23
-0.27070
0.09175
0.00000
24
0.12691
0.11062
0.00000
25
-0.08561
0.02954
0.00000
26
0.74428
-0.23700
0.00000
27
0.01523
0.01384
0.00000
28
0.00456
-0.02781
0.00000
29
0.03538
-0.14391
0.00000
30
-0.00410
-0.00327
0.00000
31
-0.03602
0.00932
0.00000
32
-0.37563
0.10365
0.00000