File: core_Ti.mop

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mopac 22.0.6%2Bdfsg-1
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         pm7 xfac debug pop=(2,0,2) TRIPLET OPEN(2,5) MECI
Ti with populations s=2, p=0, d=2 (good)
 h=112.3 hr=guess hwt=0.01  noscale 
Ti