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1、高斯程序应用用HyperChem程序画丙醇分子图：设置工作环境：格式转化：分子构型进行优化（opt）：优化结果输出：EnteringLink1=F:G94Wl1.exePID=5608.Copyright(c)1988,1990,1992,1993,1995Gaussian,Inc.AllRightsReserved.ThisispartoftheGaussian94(TM)systemofprograms.ItisbasedonthetheGaussian92(TM)system(copyright1992Gaussian,Inc.)
2、,theGaussian90(TM)system(copyright1990Gaussian,Inc.),theGaussian88(TM)system(copyright1988Gaussian,Inc.),theGaussian86(TM)system(copyright1986CarnegieMellonUniversity),andtheGaussian82(TM)system(copyright1983CarnegieMellonUniversity).Gaussianisafederallyregisteredtrademark
3、ofGaussian,Inc.Thissoftwareisprovidedunderwrittenlicenseandmaybeused,copied,transmitted,orstoredonlyinaccordwiththatwrittenlicense.ThefollowinglegendisapplicableonlytoUSGovernmentcontractsunderDFARS:RESTRICTEDRIGHTSLEGENDUse,duplicationordisclosurebytheUSGovernmentissubjec
4、ttorestrictionsassetforthinsubparagraph(c)(1)(ii)oftheRightsinTechnicalDataandComputerSoftwareclauseatDFARS252.227-7013.Gaussian,Inc.CarnegieOfficePark,Building6,Pittsburgh,PA15106USAThefollowinglegendisapplicableonlytoUSGovernmentcontractsunderFAR:RESTRICTEDRIGHTSLEGENDUs
5、e,reproductionanddisclosurebytheUSGovernmentissubjecttorestrictionsassetforthinsubparagraph(c)oftheCommercialComputerSoftware-RestrictedRightsclauseatFAR52.227-19.Gaussian,Inc.CarnegieOfficePark,Building6,Pittsburgh,PA15106USA-----------------------------------------------
6、----------------Warning--ThisprogrammaynotbeusedinanymannerthatcompeteswiththebusinessofGaussian,Inc.orwillprovideassistancetoanycompetitorofGaussian,Inc.ThelicenseeofthisprogramisprohibitedfromgivinganycompetitorofGaussian,Inc.accesstothisprogram.Byusingthisprogram,theuse
7、racknowledgesthatGaussian,Inc.isengagedinthebusinessofcreatingandlicensingsoftwareinthefieldofcomputationalchemistryandrepresentsandwarrantstothelicenseethatitisnotacompetitorofGaussian,Inc.andthatitwillnotusethisprograminanymannerprohibitedabove.--------------------------
8、-------------------------------------Citethisworkas:Gaussian94,RevisionE.1,M.J.Frisch,G.W
