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)
-0.73700
Diff mu Y
(Debye)
0.43300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00280
0.00531
0.00000
2
0.00467
0.01136
0.00000
3
-0.04804
-0.02578
0.00000
4
0.02997
-0.01698
0.00000
5
0.05032
0.02842
0.00000
6
-0.06942
0.02966
0.00000
7
0.03173
0.00452
0.00000
8
-0.02340
-0.02425
0.00000
9
-0.06588
-0.07478
0.00000
10
0.08747
-0.02752
0.00000
11
0.02680
0.04772
0.00000
12
-0.01330
0.04227
0.00000
13
0.01154
0.05407
0.00000
14
-0.02086
-0.00463
0.00000
15
-0.00969
-0.06788
0.00000
16
0.05758
-0.01323
0.00000
17
-0.02751
0.00250
0.00000
18
0.02090
-0.05016
0.00000
19
0.04713
0.03811
0.00000
20
-0.03157
-0.00428
0.00000
21
0.00521
0.04241
0.00000
22
0.01200
0.07963
0.00000
23
0.04988
0.27717
0.00000
24
-0.13326
0.23072
0.00000
25
-0.06530
-0.10508
0.00000
26
-0.03301
-0.11111
0.00000
27
-0.03249
-0.00334
0.00000
28
-0.17111
-0.06230
0.00000
29
-0.15689
-0.00235
0.00000
30
-0.15244
0.12881
0.00000
31
-0.02029
0.05060
0.00000
32
-0.03144
0.01726
0.00000