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24.10.2 Single-reference correlation treatments for N$_2$F$_2$

n2f2_ccsd.com

This calculation produces the following table:

 Results for n2f2, basis=VTZ

 METHOD          E            E-ESCF
 CISD       -308.4634948   -0.78283137
 BCCD(T)    -308.6251173   -0.94445391
 CCSD(T)    -308.6257931   -0.94512967
 QCISD(T)   -308.6274755   -0.94681207



molpro@molpro.net 2018-08-14