|
PM7 Gold(III) difluoride thiol <Au-S> <Au-F> <S-Au-F> GR=PW91D Au 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 S 2.34199300 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 2.02510100 +1 89.3693700 +1 0.0000000 +0 1 2 0 F 1.51251601 +1 93.8008751 +1 -179.9949716 +1 1 2 3 H 1.35943812 +1 94.1113095 +1 -0.1831876 +1 2 1 3