运行程序,out文件结尾出现 Symbolic Z-matrix:Charge = 0 Multiplicity = 1 End of file in ZSymb ...
gaussian输入文件:%mem=10GB %nprocshared=8 %chk=GdC82-OOH-2.chk #p opt ub3lyp/gen pop=nbo ...
gaussian输入文件:%mem=10GB %nprocshared=8 %chk=GdC82-OOH-2.chk #p opt ub3lyp/gen pop=nbo ...
gaussian输入文件:%mem=10GB %nprocshared=8 %chk=GdC82-OOH-2.chk #p opt ub3lyp/gen pop=nbo ...