.out文件开始显示;
Restoring state from the checkpoint file "a.chk".
Title: dd
Route: #n b3lyp/6-31g opt(z-matrix) optcyc=200 iop(5/13=1) iop(1/11=1)
Number of steps in this run= 200 maximum allowed number of steps= 228.
Search for a local minimum.
Step number 117 out of a maximum of 200 on scan point 128 out of 181
，作业在进行时居然停电了，晕死了
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+1/88
