%nproc=20
%Mem=40000MB
%Chk=AC01-N-JP-TS1d-2d_2
#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                 -0.27500000    4.50290000    9.29240000
 O                  0.62820000    3.29790000    7.60090000
 N                  1.74770000    5.10760000    8.28140000
 C                  0.59630000    4.30650000    8.48360000
 C                  1.69540000    3.48420000    6.63260000
 H                  1.24370000    3.84310000    5.70470000
 H                  2.16790000    2.51830000    6.46300000
 C                  2.64400000    4.52500000    7.25550000
 H                  3.47590000    4.02670000    7.76450000
 C                  3.17270000    5.58760000    6.28680000
 H                  2.33390000    6.20210000    5.94690000
 H                  3.83800000    6.25770000    6.84180000
 C                  3.89510000    4.97640000    5.10810000
 C                  3.28310000    4.91840000    3.84850000
 H                  2.29130000    5.34290000    3.71160000
 C                  3.93960000    4.32930000    2.76480000
 H                  3.45360000    4.29590000    1.79370000
 C                  5.21670000    3.78890000    2.93000000
 H                  5.72890000    3.33160000    2.08820000
 C                  5.83630000    3.84450000    4.18230000
 H                  6.83260000    3.43220000    4.31600000
 C                  5.17990000    4.43580000    5.26250000
 H                  5.66990000    4.48500000    6.23230000
 C                  1.89640000    6.29310000    8.84590000
 C                  3.77860000    6.13080000   10.21150000
 H                  4.27890000    5.44720000    9.52680000
 C                  4.25310000    7.56460000   10.09600000
 H                  5.13870000    7.70300000   10.72950000
 H                  4.60100000    7.70730000    9.06340000
 C                  3.23920000    8.64310000   10.40760000
 C                  3.59100000    9.72540000   11.22050000
 H                  4.59290000    9.76440000   11.64030000
 C                  2.68110000   10.74440000   11.50830000
 H                  2.97950000   11.57160000   12.14570000
 C                  1.39050000   10.69380000   10.97640000
 H                  0.67210000   11.47730000   11.19790000
 C                  1.03240000    9.63770000   10.14270000
 H                  0.03930000    9.60340000    9.70410000
 C                  1.94070000    8.60440000    9.85300000
 C                  1.54260000    7.53300000    8.93810000
 C                  2.98480000    5.56590000   11.16450000
 C                  2.32150000    6.30470000   12.29580000
 H                  2.69950000    7.31670000   12.43520000
 H                  2.46330000    5.74520000   13.22830000
 H                  1.23850000    6.36170000   12.12520000
 C                  2.71720000    4.08440000   11.14140000
 H                  1.63780000    3.89160000   11.12580000
 H                  3.10730000    3.62060000   12.05660000
 H                  3.17810000    3.58390000   10.28520000
 Au                 0.21030000    7.88510000    7.31000000
 P                 -1.38910000    8.17960000    5.60930000
 C                 -2.84300000    9.16040000    6.36690000
 C                 -1.81400000    6.42160000    4.97000000
 C                 -0.80790000    9.11810000    4.12840000
 C                  0.51740000    9.59210000    4.00080000
 C                 -1.69040000    9.28410000    3.04250000
 C                  0.91460000   10.17180000    2.78280000
 C                  1.55030000    9.56150000    5.08020000
 C                 -1.28570000    9.88040000    1.84990000
 H                 -2.71070000    8.93670000    3.11550000
 C                  0.03280000   10.31720000    1.71390000
 H                  1.93620000   10.52870000    2.69240000
 C                  1.45530000   10.41660000    6.19140000
 C                  2.70110000    8.77310000    4.92980000
 H                 -1.99540000    9.99240000    1.03590000
 H                  0.37130000   10.77540000    0.78920000
 C                  2.48220000   10.47210000    7.13580000
 H                  0.57730000   11.04420000    6.30640000
 C                  3.72750000    8.82810000    5.87630000
 H                  2.79030000    8.11550000    4.06930000
 C                  3.62080000    9.67610000    6.98110000
 H                  2.38810000   11.12860000    7.99560000
 H                  4.61150000    8.21040000    5.74360000
 H                  4.41870000    9.72110000    7.71660000
 C                 -4.02680000    9.44640000    5.42550000
 H                 -4.80440000    9.96280000    6.00150000
 H                 -3.74770000   10.10360000    4.59910000
 H                 -4.47380000    8.53480000    5.02210000
 C                 -2.23430000   10.50940000    6.81250000
 H                 -1.83420000   11.07500000    5.96410000
 H                 -3.02300000   11.11480000    7.27520000
 H                 -1.43650000   10.37620000    7.55070000
 C                 -3.36360000    8.40590000    7.60840000
 H                 -2.55680000    8.10970000    8.28740000
 H                 -4.04080000    9.06940000    8.15980000
 H                 -3.93160000    7.51330000    7.33480000
 C                 -2.92480000    6.32480000    3.90830000
 H                 -3.09320000    5.26350000    3.68800000
 H                 -3.87510000    6.73940000    4.25310000
 H                 -2.64590000    6.80710000    2.96950000
 C                 -2.19660000    5.52610000    6.16830000
 H                 -3.19770000    5.75020000    6.54410000
 H                 -2.19730000    4.48090000    5.83650000
 H                 -1.49260000    5.61170000    7.00170000
 C                 -0.49800000    5.89700000    4.35290000
 H                 -0.65670000    4.87220000    3.99620000
 H                 -0.16840000    6.50370000    3.50320000
 H                  0.30810000    5.87590000    5.09190000

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

Au 0
SDD




