%nproc=4 %Mem=4000MB %Chk=M06_ts7_10_b_less #p SCRF=(SMD,Solvent=Dichloromethane) M06/genecp opt freq=noraman nosymm # scf(maxcyc=100) gfinput gfprint pop=full opt freq 1 1 Au 0.11134500 -0.56879800 -0.38185700 P 2.36470800 0.02440100 -0.72630500 C 2.81499000 1.63848900 -0.01162500 H 2.20009000 2.42827200 -0.45987700 H 3.87526200 1.85503700 -0.20131000 H 2.63521400 1.63033500 1.07020000 C 3.56122300 -1.13627000 0.01011700 H 4.58720400 -0.78325500 -0.16082300 H 3.44177900 -2.13062000 -0.43684700 H 3.38238200 -1.21649300 1.08917500 C 2.88419900 0.15545100 -2.46828000 H 3.94240800 0.44444800 -2.52354300 H 2.27724800 0.91015000 -2.98248500 H 2.74842300 -0.80793000 -2.97430800 C -1.91772800 -1.01407700 0.07127000 H -2.19090400 -0.53512800 1.01626900 C -2.91387800 -0.58583000 -1.01045600 C -4.04736800 0.14160000 -0.83875900 C -2.51047300 -2.31597600 -0.00262600 H -2.64522000 -0.84903200 -2.03337700 H -3.26875800 -2.56349500 0.75103500 C -2.31416800 -3.36208900 -0.96824800 C -1.32124500 -3.32345400 -1.96991700 C -3.16917000 -4.48026500 -0.89498400 C -1.20785300 -4.36149600 -2.87529800 H -0.63759600 -2.47375000 -2.01706500 C -3.04636100 -5.52176600 -1.80057700 H -3.93429200 -4.51243200 -0.11966100 C -2.07055800 -5.45854300 -2.79351200 H -0.44230600 -4.32838900 -3.64773800 H -3.71074700 -6.38074100 -1.74001000 H -1.97289900 -6.27321700 -3.50888400 H -4.50095700 0.48327000 -1.77369900 C -4.70624100 0.67282900 0.34884300 C -4.62184400 0.12148300 1.63974000 C -5.51025400 1.81339800 0.17185800 C -5.28429400 0.71093300 2.70803900 H -4.06226700 -0.79422100 1.81551200 C -6.16356600 2.40816400 1.24261200 H -5.60484800 2.24129400 -0.82636000 C -6.04960300 1.85997900 2.51786100 H -5.20890800 0.26356900 3.69754500 H -6.76805100 3.29846600 1.07990900 H -6.56443300 2.31969200 3.35951500 C H P 0 6-31G* **** Au 0 SDD **** Au 0 SDD