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)
-0.09200
Diff mu Y
(Debye)
0.03400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02118
-0.07343
0.00000
2
-0.01749
0.05885
0.00000
3
0.07649
0.00617
0.00000
4
0.02836
-0.01055
0.00000
5
-0.01740
0.01566
0.00000
6
0.00773
-0.01170
0.00000
7
-0.01893
0.02581
0.00000
8
-0.01298
-0.04639
0.00000
9
0.00072
0.01847
0.00000
10
0.00323
-0.01983
0.00000
11
-0.08869
0.01553
0.00000
12
-0.00804
-0.00802
0.00000
13
-0.01634
0.01826
0.00000
14
0.00045
-0.00307
0.00000
15
0.09686
-0.05006
0.00000
16
-0.00196
0.00964
0.00000
17
0.01215
0.08644
0.00000
18
0.04257
-0.07317
0.00000
19
-0.07606
-0.03322
0.00000
20
0.03047
0.07773
0.00000
21
-0.09861
0.11785
0.00000
22
0.02597
0.06719
0.00000
23
-0.00018
0.02638
0.00000
24
-0.02453
0.00684
0.00000
25
0.02547
0.09660
0.00000
26
-0.11544
-0.29245
0.00000
27
-0.01272
0.01284
0.00000
28
-0.00443
0.01062
0.00000
29
0.01826
-0.01386
0.00000
30
-0.03241
-0.00068
0.00000
31
-0.03767
-0.08434
0.00000
32
0.01844
0.01578
0.00000