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grep -e ! n.pbe0.1nlcc.out-80 | tail -1 | awk '{print $5}' > N
grep -e ! n2.pbe0.1nlcc.out-80 | tail -1 | awk '{print $5}' > N2
paste N2 N | awk '{be= ($1-$2*2.0) * 13.6058 * 23.06; print "N2 : ",be}'
grep -e ! o.pbe0.1nlcc.out-80 | tail -1 | awk '{print $5}' > O
grep -e ! o2.pbe0.1nlcc.out-80 | tail -1 | awk '{print $5}' > O2
paste O2 O | awk '{be= ($1-$2*2.0) * 13.6058 * 23.06 ; print "O2 : ",be}'
grep -e ! c.pbe0.1nlcc.out-80 | tail -1 | awk '{print $5}' > C
grep -e ! co.pbe0.1nlcc.out-80 | tail -1 | awk '{print $5}' > CO
paste CO O C | awk '{be= ($1-$2-$3) * 13.6058 * 23.06; print "CO : ",be}'
rm C N O CO O2 N2
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