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)
-768.41876
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)
-0.09900
Diff mu Y
(Debye)
-0.10500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05221
0.01074
0.00000
2
-0.00261
0.01717
0.00000
3
-0.00229
0.05426
0.00000
4
-0.04644
-0.05291
0.00000
5
0.06381
-0.05835
0.00000
6
-0.01463
0.06562
0.00000
7
-0.05181
-0.02317
0.00000
8
-0.11189
-0.03768
0.00000
9
0.01973
-0.00437
0.00000
10
-0.03778
-0.00305
0.00000
11
-0.02825
0.04835
0.00000
12
0.05124
-0.03421
0.00000
13
0.00912
-0.08322
0.00000
14
0.04948
0.09879
0.00000
15
-0.04721
-0.01387
0.00000
16
0.02954
0.01774
0.00000
17
0.00674
0.01862
0.00000
18
0.04278
0.02252
0.00000
19
0.02730
-0.02749
0.00000
20
-0.00893
-0.00641
0.00000
21
0.00896
-0.09387
0.00000
22
-0.11109
-0.03317
0.00000
23
0.04755
0.07526
0.00000
24
-0.02653
-0.01313
0.00000
25
0.06382
0.00776
0.00000
26
-0.01553
-0.16191
0.00000
27
0.05011
0.09864
0.00000
28
-0.06198
-0.00014
0.00000
29
0.01412
-0.02995
0.00000
30
0.03142
0.03394
0.00000
31
-0.00875
-0.04180
0.00000
32
0.00648
0.05034
0.00000