%nprocshared=8 %mem=20GB #p opt freq b3lyp/6-311++g(d,p) scrf=(solvent=generic,read) empiricaldispersion=gd3 Title Card Required 0 1 C -2.83606300 2.01769900 -0.71379500 H -3.74373400 2.28009200 -1.24510600 C -2.83592600 2.01887800 0.71158600 H -3.74349400 2.28216000 1.24263500 C -1.70527000 1.68717500 1.40715700 H -1.70522900 1.68180400 2.49163700 C -0.50332300 1.33300500 0.72057300 C -0.50345100 1.33185100 -0.72208700 C 0.66608400 0.97320000 1.40212300 H 0.66235600 0.96239600 2.48754100 C 1.84278100 0.63652900 0.72027800 C 1.84267500 0.63544400 -0.72109100 C 3.04032900 0.27008100 1.40731200 H 3.03768200 0.26854200 2.49211700 C 4.16775400 -0.07707500 0.71267400 H 5.07082900 -0.35443800 1.24431700 C 4.16766400 -0.07809900 -0.71274600 C -1.70553000 1.68487100 -1.40902800 H -1.70568200 1.67772100 -2.49349700 H 5.07068000 -0.35619900 -1.24410300 C 0.66586200 0.97102900 -1.40326100 H 0.66190500 0.95838500 -2.48865600 C 3.04014500 0.26803300 -1.40774400 H 3.03736400 0.26492600 -2.49254500 C 0.71720739 -1.78119774 -0.66764869 H 1.53222539 -1.94873474 -1.35354669 C 0.71725339 -1.78026674 0.66826531 H 1.53231839 -1.94676574 1.35436331 C -0.66202161 -1.49995374 1.12985331 C -0.66208461 -1.50148674 -1.12953669 O -1.46206661 -1.33036374 0.00005831 O -1.11637761 -1.42161274 2.23357231 O -1.11647861 -1.42458974 -2.23334369 solventname=mixmaleic eps=26.7 epsinf=2.42