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

a  CH_{2}OH  2597435  Hydroxymethyl radical  0.0  
b  CH_{3}O  2143682  Methoxy radical  38.0 
semiempirical  AM1  0.0 a 77.2 b 

PM3  0.0 a 62.4 b 

PM6  0.0 a 104.3 b 

composite  G1  0.0 a 71.0 b 
G2MP2  0.0 a 66.8 b 

G2  0.0 a 69.1 b 

G3  0.0 a 68.2 b 

G3B3  0.0 a 34.5 b 

G3MP2  0.0 a 68.0 b 

G4  0.0 a 33.0 b 

CBSQ  0.0 a  
molecular mechanics  MM3  0.0 a 3.3 b 
STO3G  321G  321G*  631G  631G*  631G**  631+G**  6311G*  6311G**  631G(2df,p)  6311+G(3df,2p)  ccpVDZ  ccpVTZ  ccpVQZ  augccpVDZ  augccpVTZ  augccpVQZ  ccpV(T+d)Z  

hartree fock  HF  0.0 a 114.9 b 
0.0 a 46.0 b 
0.0 a 46.0 b 
0.0 a  0.0 a 18.3 b 
b 
0.0 a 30.3 b 
0.0 a 13.2 b 
0.0 a 14.6 b 
0.0 a 7.6 b 
0.0 a 16.1 b 
0.0 a 9.6 b 
0.0 a 7.8 b 
0.0 a 9.4 b 
0.0 a 7.8 b 
0.0 a 7.0 b 
0.0 a 9.6 b 

ROHF  0.0 a  0.0 a  0.0 a  0.0 a  0.0 a 30.4 b 
0.0 a  0.0 a  0.0 a  0.0 a  0.0 a  0.0 a  0.0 a  0.0 a  
density functional  LSDA  0.0 a 17.1 b 
0.0 a 18.0 b 
0.0 a 18.0 b 
0.0 a 11.1 b 
0.0 a 19.5 b 
0.0 a 30.4 b 
0.0 a 35.7 b 
0.0 a 21.7 b 
0.0 a 38.0 b 
0.0 a 34.6 b 
0.0 a 35.9 b 
0.0 a 40.8 b 
0.0 a 40.6 b 
0.0 a 40.8 b 

BLYP  0.0 a 37.8 b 
0.0 a 2.1 b 
0.0 a  0.0 a 7.3 b 
0.0 a 2.8 b 
0.0 a 13.7 b 
0.0 a 19.7 b 
0.0 a 7.5 b 
0.0 a 22.0 b 
0.0 a 18.6 b 
0.0 a  0.0 a 24.4 b 
0.0 a 25.8 b 
0.0 a 24.4 b 

B1B95  0.0 a  0.0 a 5.6 b 
0.0 a 5.6 b 
0.0 a 9.1 b 
0.0 a 2.6 b 
0.0 a 15.0 b 
0.0 a 20.9 b 
0.0 a 5.3 b 
0.0 a 21.7 b 
0.0 a 19.7 b 
0.0 a 19.2 b 
0.0 a 24.7 b 
0.0 a 24.9 b 
0.0 a 24.7 b 

B3LYP  0.0 a 52.8 b 
0.0 a 6.7 b 
0.0 a 6.7 b 
0.0 a 9.1 b 
0.0 a 2.3 b 
0.0 a 13.8 b 
0.0 a 19.7 b 
0.0 a 5.8 b 
0.0 a 21.2 b 
0.0 a 18.8 b 
0.0 a 26.1 b 
0.0 a 18.6 b 
0.0 a 24.9 b 
0.0 a 26.0 b 
0.0 a 25.5 b 
0.0 a 26.3 b 
0.0 a 27.2 b 
0.0 a 24.9 b 

B3LYPultrafine  0.0 a 1.4 b 

B3PW91  0.0 a 54.9 b 
0.0 a 3.6 b 
0.0 a 3.6 b 
0.0 a 6.5 b 
0.0 a 9.8 b 
0.0 a 17.6 b 
0.0 a 23.0 b 
0.0 a 7.4 b 
0.0 a 23.8 b 
0.0 a 23.0 b 
0.0 a 21.4 b 
0.0 a 27.3 b 
0.0 a 27.0 b 
0.0 a 27.3 b 

mPW1PW91  0.0 a 59.1 b 
0.0 a 4.3 b 
0.0 a 5.8 b 
0.0 a 9.1 b 
0.0 a 5.0 b 
0.0 a 16.8 b 
0.0 a 22.5 b 
0.0 a 6.0 b 
0.0 a 22.6 b 
0.0 a 20.6 b 
0.0 a 19.9 b 
0.0 a 26.2 b 
0.0 a 26.0 b 
0.0 a 26.2 b 

PBEPBE  0.0 a 38.4 b 
0.0 a 1.2 b 
0.0 a 1.2 b 
0.0 a 5.0 b 
0.0 a 6.4 b 
0.0 a 17.7 b 
0.0 a 23.7 b 
0.0 a 9.2 b 
0.0 a 25.0 b 
0.0 a 22.3 b 
0.0 a 29.3 b 
0.0 a 22.1 b 
0.0 a 28.0 b 
0.0 a 27.8 b 
0.0 a 29.9 b 
0.0 a 28.0 b 

PBEPBEultrafine  b 

Moller Plesset perturbation  MP2  0.0 a 88.3 b 
0.0 a 1.3 b 
0.0 a 1.3 b 
0.0 a 7.5 b 
0.0 a 36.2 b 
b 
0.0 a 26.9 b 
0.0 a 46.0 b 
0.0 a 45.5 b 
0.0 a 41.4 b 
0.0 a 54.0 b 
0.0 a 52.9 b 
0.0 a 57.3 b 
0.0 a 54.0 b 

MP2=FULL  0.0 a 1.4 b 
0.0 a 26.2 b 
0.0 a 36.2 b 
0.0 a 45.4 b 
0.0 a 27.2 b 
0.0 a 46.2 b 
0.0 a 41.3 b 

MP3  0.0 a 5.8 b 

MP4  0.0 a  0.0 a  
Configuration interaction  CID  0.0 a 2.1 b 
0.0 a 2.6 b 

CISD  0.0 a 1.2 b 
b 

Quadratic configuration interaction  QCISD  0.0 a 10.1 b 
0.0 a  0.0 a 17.7 b 
0.0 a 23.5 b 
0.0 a 3.1 b 
NC 
0.0 a 20.4 b 

QCISD(T)  0.0 a  0.0 a  
Coupled Cluster  CCD  0.0 a 6.5 b 
0.0 a 6.8 b 
0.0 a 20.6 b 

CCSD  0.0 a 5.0 b 
0.0 a  
CCSD(T)  0.0 a  0.0 a  0.0 a 
CEP31G  CEP31G*  CEP121G  CEP121G*  LANL2DZ  SDD  

hartree fock  HF  0.0 a 43.6 b 
0.0 a 31.8 b 
0.0 a 41.8 b 
0.0 a 29.0 b 
0.0 a  0.0 a 
density functional  B1B95  0.0 a 0.1 b 
0.0 a 11.6 b 

B3LYP  0.0 a 5.3 b 
0.0 a 4.7 b 
0.0 a  0.0 a 4.8 b 
0.0 a  0.0 a 1.8 b 

Moller Plesset perturbation  MP2  0.0 a 12.9 b 
0.0 a 31.1 b 
0.0 a  0.0 a 32.7 b 
0.0 a 19.5 b 
0.0 a 19.5 b 
6311+G(3df,2p)  ccpVDZ  ccpVTZ  augccpVDZ  augccpVTZ  ccpV(T+d)Z  

Moller Plesset perturbation  MP2FC// HF/631G*  0.0 a 48.7 b 
0.0 a 63.2 b 
0.0 a 51.1 b 
0.0 a 52.6 b 
0.0 a 48.4 b 
0.0 a 51.1 b 
MP2FC// B3LYP/631G*  0.0 a 56.3 b 
0.0 a 41.5 b 
0.0 a 54.1 b 
0.0 a 53.2 b 
0.0 a 57.2 b 
0.0 a 54.1 b 

MP2FC// MP2FC/631G*  0.0 a  0.0 a 42.6 b 
0.0 a 66.5 b 
0.0 a 53.5 b 
0.0 a 66.5 b 

MP4// HF/631G*  0.0 a 66.6 b 
0.0 a 68.0 b 
0.0 a 68.0 b 

MP4// B3LYP/631G*  0.0 a 24.7 b 
0.0 a 37.4 b 
0.0 a 37.4 b 

MP4// MP2/631G*  0.0 a  0.0 a 37.8 b 
0.0 a 37.8 b 

Coupled Cluster  CCSD// HF/631G*  0.0 a 74.8 b 
0.0 a 83.5 b 
0.0 a 75.5 b 
0.0 a 77.4 b 
0.0 a 75.5 b 

CCSD(T)// HF/631G*  0.0 a 71.4 b 
0.0 a 81.8 b 
0.0 a 71.9 b 
0.0 a 75.3 b 
0.0 a 71.9 b 

CCSD// B3LYP/631G*  0.0 a 29.6 b 
0.0 a 21.0 b 
0.0 a 29.2 b 
0.0 a 27.9 b 
0.0 a 29.2 b 

CCSD(T)// B3LYP/631G*  0.0 a 33.2 b 
0.0 a 22.7 b 
0.0 a 33.0 b 
0.0 a 30.1 b 
0.0 a 33.0 b 

CCSD(T)//B3LYP/631G(2df,p)  0.0 a 32.2 b 
0.0 a 32.2 b 

CCSD// MP2FC/631G*  0.0 a  0.0 a 22.1 b 
0.0 a 41.4 b 
0.0 a 28.2 b 
0.0 a 41.4 b 

CCSD(T)// MP2FC/631G*  0.0 a  0.0 a 24.0 b 
0.0 a 45.8 b 
0.0 a 30.7 b 
0.0 a 45.8 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.