%nproc=4 %Mem=4000MB %Chk=M06_ts7_10_b_more_b #p SCRF=(SMD,Solvent=Dichloromethane) M06/genecp opt freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint pop=full opt freq 1 1 Au -0.14253300 -0.34465200 0.25059700 P 2.14727300 -0.42835600 0.75479600 C 2.65559800 0.90063300 1.89319300 H 2.08209800 0.82916500 2.82563600 H 3.72694400 0.81840200 2.12146000 H 2.45996900 1.87824400 1.43629500 C 3.27501900 -0.26435000 -0.66553200 H 4.31803800 -0.29449500 -0.32342500 H 3.10289700 -1.08237100 -1.37501800 H 3.09137100 0.68751400 -1.17843900 C 2.66927800 -1.95900500 1.59083300 H 3.74265500 -1.92001400 1.82139800 H 2.10366900 -2.07583100 2.52386300 H 2.46716100 -2.82457600 0.94907100 C -2.23175100 -0.20162200 -0.21291900 H -2.44917800 0.50343400 -1.01941400 C -3.19880100 -0.08170400 0.99404300 C -4.45425900 0.42529400 0.79682900 C -2.82038700 -1.45820300 -0.39579500 H -3.42435900 -1.72257200 -1.27160900 H -2.69176500 -2.24973100 0.34614500 C -5.34758900 0.83159400 1.92243900 H -4.88906800 0.71860000 2.90959900 H -5.65928700 1.87828300 1.78943500 H -6.27355400 0.23676100 1.89237100 C -5.01871000 0.71742700 -0.54743200 C -5.69973900 -0.26729300 -1.26641400 C -4.93461100 2.01226300 -1.07195900 C -6.26428200 0.02811400 -2.50518600 H -5.79898700 -1.26830700 -0.84407800 C -5.49182200 2.30286700 -2.31290900 H -4.41685700 2.78723600 -0.50626400 C -6.15608400 1.31105400 -3.03182000 H -6.79059400 -0.74852700 -3.05655700 H -5.40667400 3.30871200 -2.72021000 H -6.59462200 1.54168000 -4.00139300 C -2.70222600 -0.46428100 2.34347700 C -1.67160000 0.26093000 2.95515000 C -3.26441200 -1.54611300 3.02586100 C -1.20584400 -0.10045300 4.21498300 H -1.23822100 1.12105700 2.43917200 C -2.78836000 -1.91744200 4.28205500 H -4.08102000 -2.10131000 2.56152000 C -1.75721600 -1.19821400 4.87636100 H -0.41573900 0.47994300 4.68818400 H -3.23083300 -2.76949700 4.79535100 H -1.38682500 -1.48582900 5.85897500 C H P 0 6-31G* **** Au 0 SDD **** Au 0 SDD