%nproc=4 %Mem=4000MB %Chk=M06_C34_V #p SCRF=(SMD,Solvent=Dichloromethane) M06/genecp opt freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint pop=full opt freq 1 1 Au 0.19587700 -0.35987200 0.09006000 P 2.44421300 -0.74377800 0.74209700 C 3.51586000 0.72581100 0.60768100 H 3.15220400 1.51418900 1.27784900 H 4.55138200 0.47373200 0.87435500 H 3.49208800 1.10718300 -0.42032600 C 3.29108700 -1.99349100 -0.28183900 H 4.33447100 -2.10855900 0.04174100 H 2.77762700 -2.95849900 -0.19308600 H 3.27182500 -1.68598200 -1.33429200 C 2.71748800 -1.32589100 2.44837400 H 3.78860500 -1.49157700 2.62760200 H 2.34805000 -0.57615300 3.15845700 H 2.17753600 -2.26637600 2.61237000 C -1.72867200 -0.03320700 -0.57880900 H -1.91076200 0.13436400 -1.64874500 C -3.01513400 -0.21634100 1.62818100 C -2.27123700 -0.40624700 2.65628500 C -1.52409900 -0.62058400 3.78644400 C -1.18321100 -1.94953000 4.16832100 C -1.11195200 0.48084800 4.58934600 C -0.45547600 -2.16047200 5.31955800 H -1.50840600 -2.77601300 3.53947000 C -0.39235700 0.24851100 5.74189500 H -1.38487800 1.48815000 4.28153200 C -0.06825300 -1.06533900 6.10079100 H -0.18754400 -3.16880400 5.62466800 H -0.07824600 1.07768300 6.37082300 H 0.49882300 -1.24107600 7.01334100 C -2.84421300 -0.01712900 0.16360200 C -4.53813100 -0.08980800 1.48276400 C -4.33740900 0.14831400 -0.04161200 H -4.65574500 1.14354800 -0.37994100 H -4.81065600 -0.60800900 -0.68194400 C -5.24821600 -1.38283800 1.82713900 H -5.20403400 -1.58457900 2.90631100 H -6.30467500 -1.30866700 1.53297200 H -4.80735100 -2.23715900 1.29586000 C -5.08474800 1.10070100 2.24309700 H -6.13615600 1.26106000 1.96571600 H -5.03575700 0.93394300 3.32812700 H -4.52774600 2.01741900 2.00682000 C H P 0 6-31G* **** Au 0 SDD **** Au 0 SDD