Faculty for Chemistry and Pharmacy - Group of Prof. Zipse
 

example for canonical CCSD(T) calculation with Gaussian

%nproc=4    
%mem=8000MB
#p CCSD(T)/cc-pVDZ scf=tight

canonical ccsd(t)/cc-pVDZ SP for water in
b3lyp-D3/6-31G(d) geom

0 1
O,0,-1.0056794279,2.2624878613,6.8718871809
H,0,-0.9964926576,2.529581213,5.9407199355
H,0,-1.563719305,2.9311323263,7.2961533345