%nproc=12 %Mem=20000MB %Chk=IE9_RAC_EnyneF_TS3_1_S1S8_M06_less #p SCRF=(PCM,Solvent=Dichloromethane) M06/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint opt freq 1 1 C -0.61144200 1.25709200 -0.71648200 C 0.48638700 1.27201800 -0.06130300 C -3.04197700 2.34131000 -1.10729500 H -3.75903000 3.06674000 -1.51653800 H -3.52500200 1.86258500 -0.24091700 C -1.79950600 3.06634200 -0.67019500 H -1.21473000 3.52336600 -1.47944200 C -1.64881000 3.61211700 0.56831700 C -0.77112300 4.77277000 0.85394100 H -0.26919000 4.70912900 1.82655400 H -1.40029800 5.67717900 0.88355600 H -0.02257200 4.91931600 0.06542900 C 1.03679400 2.04506500 1.03327600 C 2.22750400 2.77383900 0.90108200 C 0.35001300 2.05256200 2.25651100 C 2.68815100 3.54255100 1.95973500 H 2.76680400 2.74708600 -0.04543500 C 0.83360200 2.80519900 3.32176100 H -0.55389100 1.45442500 2.36302800 C 1.99229600 3.56128000 3.17081200 H 3.59748800 4.12840800 1.84650300 H 0.29879700 2.80586900 4.27004700 H 2.36424000 4.15788800 4.00062200 P 3.18644700 -2.03678700 -1.42239000 C 2.41795100 -3.31291200 -2.47230500 H 3.16210700 -4.07401000 -2.74006800 H 2.02427100 -2.85490200 -3.38610600 H 1.59139400 -3.78992100 -1.93368100 C 4.60987700 -1.43936300 -2.39111000 H 5.25009000 -2.28547500 -2.67204300 H 5.19262600 -0.72846300 -1.79534400 H 4.25936100 -0.93419800 -3.29742700 C 3.92971900 -2.96407500 -0.04049500 H 3.14338800 -3.45602500 0.54213200 H 4.47805000 -2.28023600 0.61507600 H 4.61982700 -3.72312500 -0.43061500 Au 1.72118200 -0.33789500 -0.75253600 C -1.57661100 0.45095100 -1.50439800 H -1.00442700 -0.11722700 -2.25008500 H -2.03359500 -0.28471200 -0.82448100 C -2.65470200 1.30579400 -2.14727500 H -2.25637500 1.80849000 -3.04029400 H -3.50297400 0.69004900 -2.46545200 H -2.30586700 3.26561800 1.37258200 C H P 0 6-31G* **** Au 0 SDD **** Au 0 SDD