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%chk=/tmp/mychk %nprocshared=4 %mem=512MB # bb95/6-311++g(d,p) scf(maxcycle=1000) opt(calcfc,ts,noeigen,maxcyc=500) iop(3/76=0580004200) ts 0 2 6 0 0.902966 0.349183 0.833662 6 0 -0.145379 -0.644041 0.449769 6 0 -1.312793 -0.078582 -0.316424 6 0 -1.360917 1.248663 -0.591840 6 0 -0.356950 2.162331 -0.122301 6 0 0.728608 1.727565 0.595314 1 0 1.593958 0.018691 1.599797 1 0 0.363805 -1.376565 -0.216569 1 0 -2.192313 1.646509 -1.165253 1 0 -0.484729 3.220837 -0.320605 1 0 1.456315 2.433912 0.977402 6 0 -2.355730 -1.049618 -0.781548 1 0 -2.773425 -1.613315 0.057276 1 0 -3.166830 -0.541525 -1.305852 1 0 -1.914396 -1.789280 -1.460297 8 0 -0.556749 -1.454795 1.568779 1 0 -1.005911 -0.881679 2.200793 8 0 2.354241 -0.170747 -0.590324 8 0 2.143095 -1.300782 -1.074265 --link1-- %chk=/tmp/mychk # bb95/6-311++g(d,p) freq iop(3/76=0580004200) Geom=AllCheck Guess=Read |
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