小中大【回复】
请问看哪个手册啊··,为什么我的出错内容总是%chk=PHE Raman.chk
%mem=50MW
%nproc=1
Will use up to 1 processors via shared memory.
Default route: MaxDisk=2000MB
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# freq=raman ub3lyp/6-311g pop=nbo geom=connectivity sp test
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