Charge: 0
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
Electronic States
Energy
(eV)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.15900
Diff mu Y
(Debye)
0.15100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06263
-0.00912
0.00000
2
0.05830
0.00149
0.00000
3
0.05831
0.00798
0.00000
4
-0.04121
0.01245
0.00000
5
0.03642
-0.04048
0.00000
6
-0.05317
0.02665
0.00000
7
-0.00821
-0.03246
0.00000
8
0.01042
0.04219
0.00000
9
-0.00382
-0.02742
0.00000
10
0.00740
0.02255
0.00000
11
-0.08422
0.02389
0.00000
12
0.00912
-0.02871
0.00000
13
-0.01218
0.06084
0.00000
14
0.06354
-0.05662
0.00000
15
0.07128
-0.04446
0.00000
16
-0.04241
0.02226
0.00000
17
0.03809
-0.04155
0.00000
18
-0.07158
0.05657
0.00000
19
0.09430
0.01378
0.00000
20
-0.05512
-0.01412
0.00000
21
-0.04149
-0.00041
0.00000
22
-0.02073
-0.04008
0.00000
23
0.01322
0.01061
0.00000
24
0.02296
0.01059
0.00000
25
0.03288
0.04418
0.00000
26
-0.06484
-0.10251
0.00000
27
-0.09980
0.12479
0.00000
28
0.03347
0.04237
0.00000
29
-0.10726
-0.03307
0.00000
30
0.06252
-0.08139
0.00000
31
0.06048
0.02807
0.00000
32
-0.04211
0.04800
0.00000