%nproc=4 %Mem=4000MB %Chk=M06_ts7_10_ab_22_more #p SCRF=(SMD,Solvent=Dichloromethane) M06/genecp opt freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint pop=full opt freq 1 1 Au 0.55104400 -0.00053000 -0.46283700 P 2.67531700 -0.29273700 -1.46251000 C 4.08232100 -0.35125400 -0.30232500 H 4.15514400 0.59709900 0.24362800 H 5.02157700 -0.52782500 -0.84402900 H 3.92922500 -1.15791800 0.42470000 C 2.79001400 -1.87035900 -2.37245500 H 3.78653400 -1.99313400 -2.81880400 H 2.03357300 -1.89079000 -3.16739800 H 2.59362600 -2.70571400 -1.68873800 C 3.18098100 0.95435800 -2.69443100 H 4.15377300 0.68645100 -3.12912600 H 3.25958600 1.93927300 -2.21860500 H 2.43315200 1.01350900 -3.49425300 C -1.33170700 0.17145800 0.43418700 H -1.38224000 0.80270400 1.33032300 C -2.63985600 0.16887600 -0.30567700 C -3.68701000 1.09880400 0.09033600 C -2.30459000 -1.00829200 0.57969100 H -2.62935600 -0.01622600 -1.38689400 H -2.85867400 -1.02997600 1.52297200 C -2.05343200 -2.35983200 0.02851500 C -1.45598400 -2.57351800 -1.22201600 C -2.42075800 -3.47716800 0.78595300 C -1.21247600 -3.86202700 -1.68323400 H -1.17002200 -1.71882000 -1.83871900 C -2.18092800 -4.76883500 0.32432200 H -2.89427800 -3.32620100 1.75754900 C -1.57211700 -4.96631800 -0.91126500 H -0.74258400 -4.00526300 -2.65601200 H -2.47044500 -5.62331800 0.93405200 H -1.38325400 -5.97452600 -1.27574800 H -3.40483800 2.15477200 0.17621500 C -5.01460100 0.79539800 0.38466300 C -5.53015700 -0.53054600 0.29704500 C -5.88110900 1.86083100 0.75998900 C -6.85892400 -0.76380700 0.56346400 H -4.86548500 -1.34667900 0.01922900 C -7.20861500 1.61186500 1.03166700 H -5.47376900 2.86895200 0.82604900 C -7.69157700 0.30321900 0.93386000 H -7.26644800 -1.76954500 0.49633500 H -7.87548000 2.41998300 1.32069600 H -8.73946800 0.10519500 1.15270900 C H P 0 6-31G* **** Au 0 SDD **** Au 0 SDD