%nproc=4 %Mem=4000MB %Chk=M06_ts3c_3c2_11_more #p SCRF=(SMD,Solvent=Dichloromethane) M06/genecp opt freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint pop=full opt freq 1 1 C 2.10436800 2.68734100 -1.70632600 C 2.08064200 1.70621200 -0.59774200 C 0.66396800 1.25622600 -0.28556400 C 0.21963200 -0.00258500 -0.41445100 H 0.96507100 -0.71839900 -0.79335500 Au -1.67638400 -0.68404000 0.03659300 P -3.84484600 -1.49844500 0.55949300 C -4.98195900 -1.67124000 -0.85788200 H -5.95690500 -2.05137200 -0.52207300 H -5.12350300 -0.69713400 -1.34174700 H -4.55927900 -2.36674000 -1.59313800 C -3.86691800 -3.15478300 1.32529100 H -3.27383200 -3.14899200 2.24786200 H -4.89776100 -3.45201900 1.56295100 H -3.43021100 -3.88870100 0.63703300 C -4.78807600 -0.47085700 1.73768900 H -4.91771800 0.53842900 1.32909400 H -5.77576800 -0.91360400 1.92585900 H -4.24022100 -0.39441500 2.68528400 C 2.80557600 2.11166200 0.66882300 C 2.50692700 3.32873900 1.28874100 C 3.72669300 1.24830900 1.26299100 C 3.13883000 3.68463700 2.47480600 H 1.78053800 4.00425200 0.83290200 C 4.35931400 1.60634700 2.45011200 H 3.94924000 0.29297300 0.78665600 C 4.06965300 2.82597600 3.05622000 H 2.90412700 4.63591800 2.94912000 H 5.08152500 0.92801800 2.90194500 H 4.56742100 3.10608700 3.98294900 H 2.61352000 0.83441800 -1.04114400 H 0.02315200 2.05895200 0.09748200 H 1.19313000 2.70480700 -2.31399300 C 3.11853800 3.53568200 -2.14035200 C 4.41758800 3.59428400 -1.55074000 C 2.82866600 4.36363100 -3.26591200 C 5.36570800 4.44032800 -2.07375600 H 4.65421800 2.96362400 -0.69700900 C 3.78294400 5.22088700 -3.76716400 H 1.83875300 4.30652700 -3.71596900 C 5.04648200 5.25662900 -3.16992700 H 6.35998200 4.48696800 -1.63723900 H 3.56114400 5.85709900 -4.61944800 H 5.80230200 5.93287900 -3.56519400 C H P 0 6-31G* **** Au 0 SDD **** Au 0 SDD