# RHF/STO-3G GIAO (London-orbital) NMR nuclear magnetic shielding of H2O. # Gauge-including atomic orbitals make the shielding gauge-origin independent. # Requested via [properties] scf_prop=nmr and nmr_gauge=giao. [input] system= 8 0.000000000 0.000000000 -0.041061554 1 -0.533194329 0.533194329 -0.614469223 1 0.533194329 -0.533194329 -0.614469223 charge=0 runtype=energy basis=sto-3g method=hf [guess] type=huckel [scf] multiplicity=1 type=rhf [properties] scf_prop=nmr nmr_gauge=giao