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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.25300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00663
2
0.00000
0.00000
-0.05605
3
0.00000
0.00000
0.03966
4
0.00000
0.00000
0.05332
5
0.00000
0.00000
-0.01936
6
0.00000
0.00000
-0.04961
7
0.00000
0.00000
-0.08079
8
0.00000
0.00000
0.05663
9
0.00000
0.00000
0.00879
10
0.00000
0.00000
-0.00043
11
0.00000
0.00000
0.12455
12
0.00000
0.00000
-0.01307
13
0.00000
0.00000
-0.01752
14
0.00000
0.00000
0.04768
15
0.00000
0.00000
0.07785
16
0.00000
0.00000
-0.02743
17
0.00000
0.00000
-0.07290
18
0.00000
0.00000
0.02015
19
0.00000
0.00000
0.05619
20
0.00000
0.00000
-0.08855
21
0.00000
0.00000
-0.18720
22
0.00000
0.00000
0.06652
23
0.00000
0.00000
0.07548
24
0.00000
0.00000
0.06585
25
0.00000
0.00000
-0.04358
26
0.00000
0.00000
-0.10402
27
0.00000
0.00000
0.14307
28
0.00000
0.00000
-0.05669
29
0.00000
0.00000
0.04135
30
0.00000
0.00000
-0.05506
31
0.00000
0.00000
-0.28505
32
0.00000
0.00000
-0.28566