PSU
CHEM 408 -
LECTURE NOTES
Unformatted text preview:
View Full Document
Announcements:• We will have class on Friday 4:15 to finish WS #7• I’m still missing two project descriptions (bad sign)Today:• Intro to Gaussian & Ass. #8 (due next Wed.)3/22/06link0 commandsroute sectiontitle sectionblank lineblank lineblank lineblank linemolecule specification sectionSimple Example of Gaussian (“.com”) Input Filecharge, multiplicity“Zmatrix”variable specs.Ab Initio “Model Chemistries”method / basis seteg. HF / STO-3Gaccuracybasis set qualitycorrelation
View Full Document
Unlocking...