symmetry,nosym gthresh,energy=1.d-8 orient,mass gdirect bohr geometry={ O 0.000000 0.000000 -0.136392 H 0.000000 1.423659 0.981343 H 0.000000 -1.423659 0.981343 } basis={ default,cc-pVDZ set,jkfit default,vdz/jkfit } {df-hf,df_basis=jkfit;accu,16} e=energy prog(1)='DF-HF' magprop;varsave magtens_can=MAGTENSOR rotgtens_can=ROTGTENSOR locali,pipek magprop;varsave magtens_loc=MAGTENSOR rotgtens_loc=ROTGTENSOR