%nproc=20
%Mem=40000MB
%Chk=AC01-N-TS1d-2d_SC1_pt10
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt=(calcfc,ts,noeigentest,maxstep=3) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 O                 -0.39537800    4.96884400    9.23511200
 O                  0.33971000    3.40971900    7.76421600
 N                  1.63120800    5.21030700    8.07886600
 C                  0.42008600    4.55449900    8.45321000
 C                  1.37653800    3.35724700    6.74477600
 H                  0.92960100    3.69751700    5.80913500
 H                  1.71047000    2.32456900    6.65810900
 C                  2.46901700    4.30617600    7.25018500
 H                  3.12470100    3.76302300    7.93967100
 C                  3.36210500    4.98620100    6.20229300
 H                  4.09227500    5.59614700    6.74546700
 H                  3.93464400    4.17450700    5.73652000
 C                  2.69482800    5.82742600    5.13225100
 C                  2.74361800    7.22694900    5.19922600
 H                  3.23538600    7.70675900    6.04009000
 C                  2.17859100    8.01441300    4.19208500
 H                  2.23614700    9.09700000    4.26244400
 C                  1.55141300    7.41115700    3.09944000
 H                  1.11874700    8.01957100    2.31016200
 C                  1.50386200    6.01652400    3.01527600
 H                  1.03861600    5.53703200    2.15879900
 C                  2.07978900    5.23406100    4.01867400
 H                  2.08049400    4.15209500    3.91325000
 C                  1.91383100    6.42022300    8.50559300
 C                  3.83479800    6.04962100    9.99842900
 H                  4.24098600    5.29245200    9.32885400
 C                  4.42630400    7.42827800    9.77945900
 H                  5.35249100    7.52091500   10.36134500
 H                  4.73497900    7.48295700    8.72584000
 C                  3.53417600    8.61411800   10.07665400
 C                  4.00257300    9.65626200   10.88346800
 H                  5.00352600    9.58647900   11.30126500
 C                  3.20972400   10.76774100   11.17501800
 H                  3.59834500   11.55700000   11.81194400
 C                  1.92103900   10.85905700   10.64572900
 H                  1.29253800   11.71611600   10.86792000
 C                  1.44715500    9.84752100    9.81461100
 H                  0.45120000    9.91803800    9.38685800
 C                  2.23402300    8.71741900    9.52731400
 C                  1.70405400    7.67949200    8.64363300
 C                  3.01975300    5.61115400   10.98850300
 C                  2.43761900    6.46087400   12.08835500
 H                  2.90421500    7.44115800   12.17564800
 H                  2.53896200    5.93987500   13.04821400
 H                  1.36167600    6.60712700   11.92256200
 C                  2.60484800    4.16271200   11.04264300
 H                  1.51168000    4.07671200   11.00114000
 H                  2.91613900    3.71347300   11.99456300
 H                  3.03603400    3.56669700   10.23289900
 Au                 0.18174700    8.06493200    7.15628800
 P                 -1.54340300    8.45517300    5.65497900
 C                 -1.93554100    6.96427700    4.66130900
 C                 -1.20943000    9.77671400    4.42905700
 C                 -3.12171500    8.94070800    6.45218800
 H                 -1.03928800    6.65228900    4.11825500
 H                 -2.74152400    7.18118500    3.95258800
 H                 -2.24450400    6.15594400    5.33011800
 H                 -1.05179100   10.72615200    4.94796300
 H                 -2.05702400    9.87137300    3.74240700
 H                 -0.30773500    9.52714700    3.86565800
 H                 -3.44078400    8.15210000    7.13907300
 H                 -3.89391400    9.09981700    5.69272900
 H                 -2.97454000    9.86372600    7.02003600

C H P N O 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD




