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

a  N_{2}O_{3}  10544737  Dinitrogen trioxide  0.0  
b  ONONO  122413358  Nitrosyl nitrite 
composite  G1  0.0 a 12.0 b 

G2MP2  0.0 a 11.0 b 

G2  0.0 a 11.3 b 

G3  0.0 a 9.2 b 

G3B3  0.0 a 4.7 b 

CBSQ  0.0 a 8.8 b 
STO3G  321G  321G*  631G  631G*  631G**  631+G**  6311G*  6311G**  631G(2df,p)  TZVP  ccpVDZ  ccpVTZ  augccpVDZ  augccpVTZ  

hartree fock  HF  0.0 a 222.9 b 
0.0 a 96.5 b 
0.0 a 96.5 b 
0.0 a 54.5 b 
0.0 a 47.8 b 
0.0 a 47.1 b 
0.0 a 42.5 b 
0.0 a 42.5 b 
0.0 a 40.2 b 
0.0 a 46.2 b 
0.0 a 41.2 b 
0.0 a 41.5 b 
0.0 a 42.2 b 
0.0 a 41.2 b 

density functional  LSDA  0.0 a 96.7 b 
0.0 a 6.0 b 
0.0 a 6.0 b 
0.0 a 27.8 b 
0.0 a 24.8 b 
0.0 a 24.8 b 
0.0 a 24.4 b 
0.0 a 37.4 b 
0.0 a 37.4 b 
0.0 a 29.5 b 
0.0 a 32.8 b 
0.0 a 31.0 b 
0.0 a 26.0 b 

SVWN  0.0 a 6.0 b 
0.0 a 24.8 b 
0.0 a 24.4 b 

BLYP  0.0 a 106.7 b 
0.0 a 30.4 b 
0.0 a 30.4 b 
0.0 a 2.0 b 
0.0 a 9.9 b 
0.0 a 9.9 b 
0.0 a 10.5 b 
0.0 a 18.7 b 
0.0 a 18.7 b 
0.0 a 15.6 b 
0.0 a 15.0 b 
0.0 a 15.5 b 

B1B95  0.0 a 99.4 b 
0.0 a 6.2 b 
0.0 a 6.2 b 
0.0 a 46.8 b 
0.0 a 37.4 b 
0.0 a 37.8 b 
0.0 a 39.5 b 
0.0 a 48.5 b 
0.0 a 48.5 b 
0.0 a 41.5 b 
0.0 a 45.0 b 
0.0 a 11.6 b 
0.0 a 9.7 b 

B3LYP  0.0 a 121.8 b 
0.0 a 30.8 b 
0.0 a 4.2 b 
0.0 a 4.8 b 
0.0 a 5.8 b 
0.0 a 14.8 b 
0.0 a 14.8 b 
0.0 a 11.7 b 
0.0 a 11.4 b 
0.0 a 11.3 b 
0.0 a 7.8 b 

B3LYPultrafine  0.0 a 4.9 b 
0.0 a 11.3 b 

B3PW91  0.0 a 117.8 b 
0.0 a 26.6 b 
0.0 a 26.6 b 
0.0 a 9.8 b 
0.0 a 9.5 b 
0.0 a 9.5 b 
0.0 a 10.2 b 
0.0 a 19.4 b 
0.0 a 19.4 b 
0.0 a 14.2 b 
0.0 a 16.6 b 
0.0 a 15.4 b 

mPW1PW91  0.0 a 122.9 b 
0.0 a 28.3 b 
0.0 a 28.1 b 
0.0 a 8.9 b 
0.0 a 6.9 b 
0.0 a 6.9 b 
0.0 a 7.5 b 
0.0 a 16.7 b 
0.0 a 16.7 b 
0.0 a 11.6 b 
0.0 a 14.2 b 
0.0 a 12.8 b 

M062X  0.0 a 8.7 b 

PBEPBE  0.0 a 101.8 b 
0.0 a 24.3 b 
0.0 a 24.3 b 
0.0 a 10.8 b 
0.0 a 17.7 b 
0.0 a 17.7 b 
0.0 a 17.8 b 
0.0 a 26.8 b 
0.0 a 26.8 b 
0.0 a 22.3 b 
0.0 a 23.5 b 
0.0 a 22.4 b 

PBEPBEultrafine  0.0 a 17.7 b 

PBE1PBE  0.0 a 8.0 b 

HSEh1PBE  0.0 a 9.0 b 

TPSSh  0.0 a 8.7 b 

Moller Plesset perturbation  MP2  0.0 a 90.8 b 
0.0 a 4.8 b 
0.0 a 4.8 b 
0.0 a 24.8 b 
0.0 a 21.5 b 
0.0 a 32.4 b 
0.0 a 32.4 b 
0.0 a 30.1 b 
0.0 a 23.6 b 
0.0 a 32.5 b 
0.0 a 24.4 b 
0.0 a 23.4 b 

MP2=FULL  0.0 a 90.7 b 
0.0 a 4.7 b 
0.0 a 4.7 b 
0.0 a 24.8 b 
0.0 a 22.3 b 
0.0 a 21.0 b 
0.0 a 33.1 b 
0.0 a 33.1 b 
0.0 a 31.8 b 
0.0 a 33.0 b 
0.0 a 27.3 b 

MP3  0.0 a 20.7 b 

MP3=FULL  0.0 a 19.9 b 
0.0 a 18.9 b 

MP4  0.0 a 26.5 b 
0.0 a 34.6 b 
0.0 a 23.3 b 

Configuration interaction  CID  0.0 a 65.0 b 
0.0 a 27.7 b 

CISD  0.0 a 65.2 b 
0.0 a 27.8 b 

Quadratic configuration interaction  QCISD  0.0 a 66.3 b 
0.0 a 29.5 b 
0.0 a 23.2 b 
0.0 a 23.2 b 
0.0 a 23.1 b 
0.0 a 12.1 b 
0.0 a 12.1 b 
0.0 a 11.9 b 
0.0 a 12.4 b 
0.0 a 15.0 b 

QCISD(T)  0.0 a 9.4 b 

Coupled Cluster  CCD  0.0 a 63.2 b 
0.0 a 22.3 b 
0.0 a 22.1 b 
0.0 a 22.1 b 
0.0 a 21.0 b 
0.0 a 11.7 b 
0.0 a 11.7 b 
0.0 a 11.0 b 
0.0 a 11.0 b 
0.0 a 13.8 b 

CCSD  0.0 a 24.0 b 

CCSD(T)  0.0 a 7.6 b 
0.0 a 2.0 b 
CEP31G  CEP31G*  CEP121G  CEP121G*  LANL2DZ  SDD  

hartree fock  HF  0.0 a 64.7 b 
0.0 a 53.4 b 
0.0 a 64.4 b 
0.0 a 49.6 b 
0.0 a 62.8 b 
0.0 a 62.9 b 
density functional  B3LYP  0.0 a 8.6 b 
0.0 a 5.0 b 
0.0 a 9.0 b 
0.0 a 2.7 b 
0.0 a 2.4 b 
0.0 a 2.4 b 
Moller Plesset perturbation  MP2  0.0 a 14.9 b 
0.0 a 10.6 b 
0.0 a 15.4 b 
0.0 a 12.3 b 
0.0 a 15.5 b 
0.0 a 15.4 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.