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

a  CH_{3}CH_{2}OH  64175  Ethanol  0.0  
b  CH_{3}OCH_{3}  115106  Dimethyl ether  50.5 
composite  G1  0.0 a 45.9 b 

G2MP2  0.0 a 46.8 b 

G2  0.0 a 47.0 b 

G3  0.0 a 49.8 b 

G3B3  0.0 a 49.3 b 

G3MP2  0.0 a 50.7 b 

CBSQ  0.0 a 48.4 b 
STO3G  321G  321G*  631G  631G*  631G**  631+G**  6311G*  6311G**  631G(2df,p)  6311+G(3df,2p)  TZVP  ccpVDZ  ccpVTZ  ccpVQZ  augccpVDZ  augccpVTZ  ccpV(T+d)Z  Sadlej_pVTZ  

hartree fock  HF  0.0 a 3.3 b 
0.0 a 25.5 b 
0.0 a 25.5 b 
0.0 a 48.2 b 
0.0 a 41.7 b 
0.0 a 45.5 b 
0.0 a 29.7 b 
0.0 a 44.1 b 
0.0 a 39.2 b 
0.0 a 41.7 b 
0.0 a 43.8 b 
0.0 a 42.0 b 
0.0 a 42.4 b 
0.0 a 43.4 b 
0.0 a 49.6 b 
0.0 a 43.4 b 
0.0 a 42.4 b 
0.0 a 46.4 b 

density functional  LSDA  0.0 a 18.9 b 
0.0 a 19.9 b 
0.0 a 19.9 b 
0.0 a 37.9 b 
0.0 a 24.8 b 
0.0 a 35.9 b 
0.0 a 46.7 b 
0.0 a 31.0 b 
0.0 a 45.0 b 
0.0 a 33.9 b 
0.0 a 36.5 b 
0.0 a 45.4 b 
0.0 a 51.1 b 
0.0 a 45.4 b 

SVWN  0.0 a 19.9 b 
0.0 a 24.8 b 
0.0 a 46.7 b 

BLYP  0.0 a 22.2 b 
0.0 a 9.5 b 
0.0 a 9.5 b 
0.0 a 27.3 b 
0.0 a 18.2 b 
0.0 a 29.0 b 
0.0 a 39.9 b 
0.0 a 24.3 b 
0.0 a 37.3 b 
0.0 a 27.5 b 
0.0 a 30.3 b 
0.0 a 38.1 b 
0.0 a 45.8 b 
0.0 a 38.1 b 

B1B95  0.0 a 11.6 b 
0.0 a 21.0 b 
0.0 a 21.0 b 
0.0 a 40.1 b 
0.0 a 27.6 b 
0.0 a 38.5 b 
0.0 a 46.4 b 
0.0 a 30.3 b 
0.0 a 44.4 b 
0.0 a 37.0 b 
0.0 a 39.5 b 
0.0 a 44.5 b 
0.0 a 51.7 b 
0.0 a 44.5 b 

B3LYP  0.0 a 16.2 b 
0.0 a 16.0 b 
0.0 a 16.0 b 
0.0 a 34.8 b 
0.0 a 23.0 b 
0.0 a 34.1 b 
0.0 a 43.2 b 
0.0 a 27.7 b 
0.0 a 41.3 b 
0.0 a 32.5 b 
0.0 a 42.7 b 
0.0 a 44.1 b 
0.0 a 35.4 b 
0.0 a 41.4 b 
0.0 a 48.7 b 
0.0 a 44.3 b 
0.0 a 41.4 b 
0.0 a 46.0 b 

B3LYPultrafine  0.0 a 23.0 b 
0.0 a 43.3 b 
0.0 a 41.5 b 

B3PW91  0.0 a 11.3 b 
0.0 a 23.5 b 
0.0 a 23.5 b 
0.0 a 40.8 b 
0.0 a 28.4 b 
0.0 a 39.8 b 
0.0 a 47.3 b 
0.0 a 31.7 b 
0.0 a 45.8 b 
0.0 a 38.2 b 
0.0 a 40.2 b 
0.0 a 45.6 b 
0.0 a 51.6 b 
0.0 a 45.6 b 

mPW1PW91  0.0 a 9.9 b 
0.0 a 24.8 b 
0.0 a 24.9 b 
0.0 a 42.5 b 
0.0 a 29.2 b 
0.0 a 40.9 b 
0.0 a 48.3 b 
0.0 a 32.1 b 
0.0 a 46.5 b 
0.0 a 39.3 b 
0.0 a 41.1 b 
0.0 a 46.3 b 
0.0 a 52.4 b 
0.0 a 46.3 b 

M062X  0.0 a 25.9 b 

PBEPBE  0.0 a 17.0 b 
0.0 a 17.4 b 
0.0 a 17.3 b 
0.0 a 34.9 b 
0.0 a 24.6 b 
0.0 a 35.9 b 
0.0 a 45.7 b 
0.0 a 29.2 b 
0.0 a 43.0 b 
0.0 a 34.4 b 
0.0 a 45.4 b 
0.0 a 36.4 b 
0.0 a 43.6 b 
0.0 a 50.4 b 
0.0 a 47.1 b 
0.0 a 43.6 b 
0.0 a 48.0 b 

PBEPBEultrafine  0.0 a 24.7 b 

PBE1PBE  0.0 a 29.7 b 

HSEh1PBE  0.0 a 29.2 b 

TPSSh  0.0 a 36.2 b 

Moller Plesset perturbation  MP2  0.0 a 8.0 b 
0.0 a 23.7 b 
0.0 a 23.7 b 
0.0 a 47.4 b 
0.0 a 44.9 b 
0.0 a 37.0 b 
0.0 a 53.7 b 
0.0 a 44.7 b 
0.0 a 51.0 b 
0.0 a 48.0 b 
0.0 a 51.5 b 
0.0 a 57.6 b 
0.0 a 51.5 b 

MP2=FULL  0.0 a 23.7 b 
0.0 a 44.6 b 
0.0 a 54.1 b 
0.0 a 47.9 b 
0.0 a 52.2 b 

MP3  0.0 a 37.1 b 

MP3=FULL  0.0 a 36.8 b 
0.0 a 49.8 b 

MP4  0.0 a 32.0 b 

B2PLYP  0.0 a 27.3 b 
0.0 a 44.7 b 

Configuration interaction  CID  0.0 a 34.4 b 

CISD  0.0 a 33.5 b 

Quadratic configuration interaction  QCISD  0.0 a 21.5 b 
0.0 a 34.0 b 
0.0 a 41.9 b 
0.0 a 47.8 b 
0.0 a 34.9 b 
0.0 a 49.1 b 
0.0 a 43.7 b 

QCISD(T)  0.0 a 32.5 b 

Coupled Cluster  CCD  0.0 a 35.9 b 
0.0 a 45.5 b 

CCSD(T)  0.0 a 32.9 b 
0.0 a 41.6 b 
CEP31G  CEP31G*  CEP121G  CEP121G*  LANL2DZ  SDD  

density functional  B1B95  0.0 a 44.2 b 
0.0 a 30.7 b 

B3LYP  0.0 a 40.3 b 
0.0 a 29.9 b 
0.0 a 41.7 b 
0.0 a 41.6 b 

Moller Plesset perturbation  MP2  0.0 a 37.7 b 
0.0 a 51.0 b 
0.0 a 41.0 b 
0.0 a 51.3 b 
0.0 a 51.5 b 
6311+G(3df,2p)  ccpVDZ  ccpVTZ  augccpVDZ  augccpVTZ  ccpV(T+d)Z  

Moller Plesset perturbation  MP2FC// HF/631G*  0.0 a 51.8 b 
0.0 a 50.0 b 
0.0 a 52.7 b 
0.0 a 60.5 b 
0.0 a 54.8 b 
0.0 a 52.7 b 
MP2FC// B3LYP/631G*  0.0 a 51.0 b 
0.0 a 48.7 b 
0.0 a 51.8 b 
0.0 a 58.6 b 
0.0 a 53.9 b 
0.0 a 51.8 b 

MP2FC// MP2FC/631G*  0.0 a 48.9 b 
0.0 a 51.9 b 
0.0 a 58.5 b 
0.0 a 54.0 b 
0.0 a 51.9 b 

MP4// HF/631G*  0.0 a 47.8 b 
0.0 a 46.2 b 
0.0 a 49.1 b 
0.0 a 49.1 b 

MP4// B3LYP/631G*  0.0 a 43.5 b 
0.0 a 47.9 b 
0.0 a 47.9 b 

MP4// MP2/631G*  0.0 a 47.8 b 
0.0 a 47.8 b 

Coupled Cluster  CCSD// HF/631G*  0.0 a 48.3 b 
0.0 a 46.6 b 
0.0 a 49.8 b 
0.0 a 56.7 b 
0.0 a 49.8 b 

CCSD(T)// HF/631G*  0.0 a 48.3 b 
0.0 a 45.8 b 
0.0 a 49.7 b 
0.0 a 56.6 b 
0.0 a 49.7 b 

CCSD// B3LYP/631G*  0.0 a 45.1 b 
0.0 a 48.7 b 
0.0 a 48.7 b 

CCSD(T)// B3LYP/631G*  0.0 a 44.2 b 
0.0 a 48.5 b 
0.0 a 48.5 b 

CCSD(T)//B3LYP/631G(2df,p)  0.0 a 48.2 b 
0.0 a 48.2 b 

CCSD// MP2FC/631G*  0.0 a 45.3 b 
0.0 a 48.9 b 
0.0 a 54.5 b 
0.0 a 50.4 b 
0.0 a 48.9 b 

CCSD(T)// MP2FC/631G*  0.0 a 44.4 b 
0.0 a 48.5 b 
0.0 a 54.1 b 
0.0 a 50.4 b 
0.0 a 48.5 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.