file=$1 grep "N_det =" $1 | cut -d "=" -f 2 > N_det_tmp grep "E =" $file | cut -d "=" -f 2 > E_tmp grep "E+PT2 =" $file | cut -d "=" -f 2 | cut -d "+" -f 1 > E+PT2_tmp grep "E+rPT2 =" $file | cut -d "=" -f 2 | cut -d "+" -f 1 > E+rPT2_tmp paste N_det_tmp E_tmp E+PT2_tmp E+rPT2_tmp | column -s ' ' -t > $file.conv_fci rm N_det_tmp E_tmp E+PT2_tmp E+rPT2_tmp