(* Politzer, Snyder & Basch ratio for Kimball calculations (ES 19 June 2013)
ratio=-(Vne+2*Vnn)/(Vee-Vnn) ; they found 6.7±0.44 ;
here we determine 6.61±0.56 for 53 molecules, whose energy components
are derived by Kimballs model from published structures of variable precision *)

Clear[t,t1,i,d,n];

t={{12crown4,6.8480},{Acetone,6.6354},{Acetone_G31,6.7126},{Adamantane,5.6476},{AdamantN,5.6500},{Adenosine,6.8480},{Aspirin,7.4301},{B2H6,7.4840},{Benzene,6.4920},{BetaDGlu4,7.5590},{Borazine,6.4920},{Butane_TST,5.9644},{C960,6.0308},{Calmagite_cis,6.4850},{Calmagite_trans,6.5975},{Camphane,6.8650},{Cellobiose,7.3045},{CentroIndane,6.3010},{Chlorogenic_A,7.0470},{CoenzymeA,7.4850},{Coronene,6.4690},{Cortison_TST1,6.5968},{d-Fructose,7.3814},{Diazepam,6.0900},{Ethane_G31,5.8427},{Formamide,6.9074},{Fructofuranose,7.2955},{Fullerene,5.4843},{Glucopyranose,7.2554},{Glycylglycine,6.8995},{Helicin,7.1642},{Hexaprismane,5.8585},{Methan_TST,6.1431},{Naphthalene,6.3331},{Decane,5.6736},{22Paracyclophane,6.2380},{Penicilline,6.6033},{Phenanthrene,6.5972},{Phenol,6.3711},{Propane_TST,5.9887},{Saccharose,7.4080},{Strychnine,6.3313},{Triacontane,5.6625},{VitaminA,6.2740},{Water, 6.6685},{H2peroxide,6.3933},{CarbonicAcid,6.4488},{Glycine,6.7620},{AcetylaceticAcid,7.1387},{Ethylacetoacetate,6.9087},{Diethylmalonate,6.9049},{Ethylcyanoacetate,7.3889},{Ammonia, 6.9183}};

n=Length[t]
data1=Table[t[[i,2]],{i,1,n}];
Histogram[data1,{4,9,0.4}]

Mean[data1]± StandardDeviation[data1]

t1=Sort[t,#1[[2]]<#2[[2]]&];

MatrixForm[t1, TableAlignments->Left]