IV.A.4. (XIV.F.) 
index  Species  CAS number  Name  Relative experimental enthalpy (kJ mol^{1})  sketch 

a  CH_{3}CHCH  6067681  1propenyl radical  
b  C_{3}H_{5}  1981802  Allyl radical  0.0 
semiempirical  AM1  88.1 a 0.0 b 

PM3  84.2 a 0.0 b 

PM6  251.1 a 0.0 b 

composite  G1  445.7 a 0.0 b 
G2MP2  446.4 a 0.0 b 

G2  446.1 a 0.0 b 

G3  445.5 a 0.0 b 

G3B3  77.2 a 0.0 b 

G3MP2  0.0 b 

G4  77.5 a 0.0 b 

CBSQ  75.8 a 0.0 b 
631G**  6311+G(3df,2p)  ccpVDZ  ccpVTZ  augccpVDZ  augccpVTZ  ccpV(T+d)Z  

hartree fock  HF  0.0 b 
0.0 b 

ROHF  0.0 b 

density functional  LSDA  0.0 b 

BLYP  0.0 b 
0.0 b 

B1B95  0.0 b 

B3LYP  0.0 b 
0.0 b 

B3PW91  0.0 b 
0.0 b 

mPW1PW91  0.0 b 

PBEPBE  0.0 b 
0.0 b 

Moller Plesset perturbation  MP2  0.0 b 

Coupled Cluster  CCSD(T)  0.0 b 
CEP31G  CEP31G*  CEP121G  CEP121G*  LANL2DZ  SDD  

density functional  B1B95  0.0 b 
0.0 b 
6311+G(3df,2p)  ccpVDZ  ccpVTZ  augccpVDZ  augccpVTZ  ccpV(T+d)Z  

Moller Plesset perturbation  MP2FC// HF/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 
MP2FC// B3LYP/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 

MP2FC// MP2FC/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 

MP4// HF/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 

MP4// B3LYP/631G*  0.0 b 
0.0 b 
0.0 b 

MP4// MP2/631G*  0.0 b 
0.0 b 
0.0 b 

Coupled Cluster  CCSD// HF/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 

CCSD(T)// HF/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 

CCSD// B3LYP/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 

CCSD(T)// B3LYP/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 

CCSD(T)//B3LYP/631G(2df,p)  0.0 b 
0.0 b 

CCSD// MP2FC/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 

CCSD(T)// MP2FC/631G*  0.0 b 
0.0 b 
0.0 b 
0.0 b 
0.0 b 
See section III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.