1echo 2start h2o 3 4memory global 40 mb stack 23 mb heap 5 mb 5 6permanent_dir ./perm 7scratch_dir ./data 8geometry units au 9 O 0 0 0 10 H 0 1.430 -1.107 11 H 0 -1.430 -1.107 12end 13 14 15basis 16 O library 6-31g* 17 H library 6-31g* 18end 19 20scf 21 rohf 22 singlet 23end 24 25rism 26 closure kh 27 tol 0.1e-6 28 temp 298 29 vdw rule arithmetic parameters vdw.par 30 solute configuration solute2.data 31 solvent model solvent3.data rdf full.data 32#solvent permittivity 3.0 33 ngrid 4096 34end 35task dft energy rism 36 37