Input2.in

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go back to Main Page, Chemistry & More, Chemical & Physical concepts, Energy Barrier for Outer-sphere Electron Transfer Processes


%chk=1.chk

#p scrf=(...,read) method/basis_set Geom=Check Guess=Read


Title


# #


NonEq=write


--link1--

%chk=1.chk

#p scrf=(...,read) method/basis_set Geom=Check Guess=Read


Title


# #


NonEq=read


NOTE: The first step in this calculation might seem redundant (noneq=write could be added at the end of the first calculation), but skipping it will lead to errors more often than not, as checkpoint files work in mysterious ways.