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

a  HOCO  2564865  Hydrocarboxyl radical  
b  HCOO  9000392  formate neutral radical 
composite  G1  0.0 a 64.9 b 

G2MP2  0.0 a 69.2 b 

G2  0.0 a 67.6 b 

G3  0.0 a 66.9 b 

G3B3  0.0 a 54.8 b 

CBSQ  0.0 a 71.5 b 
STO3G  321G  321G*  631G  631G*  631G**  631+G**  6311G*  6311G**  631G(2df,p)  TZVP  ccpVDZ  ccpVTZ  ccpVQZ  augccpVDZ  augccpVTZ  

hartree fock  HF  0.0 a 14.7 b 
0.0 a 14.7 b 
0.0 a 18.5 b 
0.0 a 4.1 b 
0.0 a 7.5 b 
0.0 a 7.9 b 
0.0 a 6.3 b 
0.0 a 3.3 b 
0.0 a 8.6 b 
0.0 a 13.5 b 
0.0 a 8.4 b 
0.0 a 10.2 b 

ROHF  0.0 a 18.9 b 

density functional  LSDA  0.0 a 5.1 b 
0.0 a 0.2 b 
0.0 a 0.2 b 
0.0 a 5.7 b 
0.0 a 1.4 b 
0.0 a 10.9 b 
0.0 a 20.3 b 
0.0 a 1.7 b 
0.0 a 15.4 b 
0.0 a 13.0 b 
0.0 a 12.9 b 
0.0 a 18.9 b 
0.0 a 20.7 b 

SVWN  0.0 a 2.1 b 
0.0 a 1.3 b 
0.0 a 14.0 b 

BLYP  0.0 a 8.1 b 
0.0 a 8.1 b 
0.0 a 0.0 b 
0.0 a 7.8 b 
0.0 a 17.7 b 
0.0 a 26.9 b 
0.0 a 15.7 b 
0.0 a 23.2 b 
0.0 a 30.4 b 

B1B95  0.0 a 40.9 b 
0.0 a 40.9 b 
0.0 a 38.7 b 
0.0 a 37.8 b 
0.0 a 52.2 b 
0.0 a 55.4 b 
0.0 a 37.7 b 
0.0 a 48.2 b 
0.0 a 53.9 b 
0.0 a 53.9 b 

B3LYP  0.0 a 24.1 b 
0.0 a 24.1 b 
0.0 a 18.7 b 
0.0 a 25.3 b 
0.0 a 35.7 b 
0.0 a 43.4 b 
0.0 a 31.6 b 
0.0 a 45.2 b 
0.0 a 40.1 b 
0.0 a 47.0 b 
0.0 a 53.7 b 
0.0 a 46.9 b 
0.0 a 49.2 b 

B3LYPultrafine  0.0 a 25.3 b 

B3PW91  0.0 a 24.9 b 
0.0 a 24.9 b 
0.0 a 18.6 b 
0.0 a 28.3 b 
0.0 a 39.1 b 
0.0 a 45.7 b 
0.0 a 32.4 b 
0.0 a 41.2 b 
0.0 a 35.3 b 

mPW1PW91  0.0 a 26.8 b 
0.0 a 27.0 b 
0.0 a 22.2 b 
0.0 a 27.7 b 
0.0 a 38.3 b 
0.0 a 51.0 b 
0.0 a 25.9 b 
0.0 a 37.7 b 
0.0 a 42.8 b 

M062X  0.0 a 42.0 b 

PBEPBE  0.0 a 9.8 b 
0.0 a 9.8 b 
0.0 a 1.4 b 
0.0 a 11.0 b 
0.0 a 21.4 b 
0.0 a 30.2 b 
0.0 a 16.9 b 
0.0 a 24.9 b 
0.0 a 33.7 b 
0.0 a 33.0 b 

PBEPBEultrafine  0.0 a 11.0 b 

PBE1PBE  0.0 a 26.3 b 

HSEh1PBE  0.0 a 25.8 b 

TPSSh  0.0 a 31.8 b 

Moller Plesset perturbation  MP2  0.0 a 52.2 b 
0.0 a 52.2 b 
0.0 a 54.5 b 
0.0 a 66.5 b 
0.0 a 75.8 b 
0.0 a 83.4 b 
0.0 a 67.4 b 
0.0 a 83.8 b 
0.0 a 78.9 b 
0.0 a 89.0 b 
0.0 a 111.0 b 
0.0 a 88.3 b 
0.0 a 92.1 b 

MP2=FULL  0.0 a 52.2 b 
0.0 a 52.2 b 
0.0 a 54.5 b 
0.0 a 66.4 b 
0.0 a 75.8 b 
0.0 a 83.3 b 
0.0 a 67.6 b 
0.0 a 78.7 b 
0.0 a 86.9 b 

MP3  0.0 a 39.0 b 

MP3=FULL  0.0 a 38.9 b 
0.0 a 53.6 b 

MP4  0.0 a 36.9 b 
0.0 a 49.1 b 

Configuration interaction  CID  0.0 a 20.3 b 
0.0 a 20.3 b 
0.0 a 19.6 b 
0.0 a 32.0 b 
0.0 a 32.7 b 

CISD  0.0 a 21.4 b 
0.0 a 21.4 b 
0.0 a 20.1 b 
0.0 a 31.8 b 
0.0 a 33.0 b 

Quadratic configuration interaction  QCISD  0.0 a 26.9 b 
0.0 a 26.9 b 
0.0 a 20.5 b 
0.0 a 30.2 b 
0.0 a 38.5 b 
0.0 a 43.8 b 
0.0 a 33.7 b 
0.0 a 43.2 b 
0.0 a 52.4 b 

QCISD(T)  0.0 a 42.5 b 
0.0 a 55.7 b 
0.0 a 63.1 b 
0.0 a 62.1 b 

Coupled Cluster  CCD  0.0 a 27.4 b 
0.0 a 27.4 b 
0.0 a 28.0 b 
0.0 a 40.4 b 
0.0 a 49.0 b 
0.0 a 55.3 b 
0.0 a 41.0 b 
0.0 a 51.5 b 
0.0 a 58.6 b 

CCSD  0.0 a 38.9 b 
0.0 a 50.5 b 

CCSD(T)  0.0 a 39.4 b 
0.0 a 53.0 b 
0.0 a 62.5 b 
0.0 a 59.3 b 

CCSD(T)=FULL  0.0 a 39.3 b 
CEP31G  CEP31G*  CEP121G  CEP121G*  LANL2DZ  SDD  

hartree fock  HF  0.0 a 21.2 b 
0.0 a 19.3 b 
0.0 a 15.8 b 
0.0 a 15.7 b 

density functional  B3LYP  0.0 a 28.1 b 
0.0 a 26.0 b 
0.0 a 30.8 b 
0.0 a 30.5 b 

Moller Plesset perturbation  MP2  0.0 a 64.5 b 
0.0 a 63.6 b 
0.0 a 67.8 b 
0.0 a 68.1 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.