***,h2o test geometry={o;h1,o,r;h2,o,r,h1,theta} !Z-matrix geometry input basis=vtz !cc-pVTZ basis set r=1 ang !bond length theta=104 !bond angle hf !do scf calculation text,examples for single-reference correlation treatments ci !CISD using MRCI code cepa(1) !cepa-1 using MRCI code mp2 !Second-order Moeller-Plesset mp3 !Second and third-order MP mp4 !Second, third, and fourth-order MP4(SDTQ) mp4;notripl !MP4(SDQ) cisd !CISD using special closed-shell code ccsd(t) !coupled-cluster CCSD(T) qci(t) !quadratic configuration interaction QCISD(T) bccd(t) !Brueckner CCD(T) calculation ---