##TITLE= Simplified IR Spectrum of water
##JCAMP-DX= 4.24 $$ Written by Drive for Windows v 1.39
##DATA TYPE= SPECTRUM
##ORIGIN= Gaussian 94 Frequencies
##OWNER= P.W. May
##XUNITS= Wavenumber (CM^-1)
##YUNITS = Intensity (Arb. Units)
##$ASSIGNMENT TYPE=CHIME
##$CHIME TARGET=CHIMEDISP 
##PEAK ASSIGNMENT= (XYWA) 
2170,-1,25, <load "h2ovib.1.xyz"; select *; zoom 180; rotate y 90; wireframe 40; spacefill 100; animation on; select hydrogen; wireframe off">
4141,-1,25, <load "h2ovib.2.xyz"; select *; zoom 180; rotate y 90; wireframe 40; spacefill 100; animation on; select hydrogen; wireframe off">
4393,-1,25, <load "h2ovib.3.xyz"; select *; zoom 180; rotate y 90; wireframe 40; spacefill 100; animation on; select hydrogen; wireframe off">
2250,-1,1750, <load "h2ovib.0.xyz"; select *; zoom 180; rotate y 90; wireframe 40; spacefill 100">
##NPOINTS=822
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