#Layout to see an IR Spectrum #You have to set the range after a first preview #GENERAL SETTINGS (DO NOT MOVE) set termopt enhanced # Allow to use ^super/_{sub} # set autoscale # scale axes automatically unset log # remove any log-scaling unset label # remove any previous labels set xtic auto # set xtics automatically set ytic auto # set ytics automatically set palette gray set encoding iso_8859_1 # Latin accents set grid set term pngcairo enhanced size 700, 400 font "Arial, 12" set output "ir_spectrum.png" #CONTROL THE PLOT TITLES set title "N-(methyl)mercapto acetamide IR spectrum" #font "Times-Roman, 16" set xlabel "Frequency cm^{-1}" font "Times-Roman,12" set ylabel "IR Intensity" font "Times-Roman,12" #Filled a curve set style fill solid 1.0 noborder set style function filledcurves y1=0 set clip two #SET THE RANGE VIEW OF THE PLOT #set xrange [-15:15] set yrange [880:1000] plot "isoprene.out.ir.dat" using 1:2 title '' with filledcurve x2;