Temel Q-Chem İnputu: Temel bir Q-Chem inputu aşağıdaki şekildedir.
$molecule
0 1
O -0.000000000576 -0.066535494673 0.000000000000
H -0.760971323485 0.527983293303 0.000000000000
H 0.760971332628 0.527983290781 0.000000000000
$end
$rem
method wb97x-d
basis 6-311++G(d,p)
mem_total 10000
$end
DF-MP2 İnput Örneği:
$molecule 0 1 O -0.000000000576 -0.066535494673 0.000000000000 H -0.760971323485 0.527983293303 0.000000000000 H 0.760971332628 0.527983290781 0.000000000000 $end $rem method = mp2 basis = def2-svp aux_basis_j = rijk-def2-svp aux_basis_k = rijk-def2-svp aux_basis_corr = rimp2-def2-svp ri_j = true ri_k = true $end