%nproc=20
%Mem=40000MB
%Chk=AC01-N-JP-TS1d-2d_2_less
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 O                 -0.29790000    4.45220000    9.30960000
 O                  0.61420000    3.26050000    7.61350000
 N                  1.72250000    5.07250000    8.30490000
 C                  0.57520000    4.26290000    8.50180000
 C                  1.68640000    3.45190000    6.65160000
 H                  1.23870000    3.80430000    5.71970000
 H                  2.16640000    2.48850000    6.48890000
 C                  2.62500000    4.50020000    7.27780000
 H                  3.46110000    4.00880000    7.78600000
 C                  3.14420000    5.57240000    6.31710000
 H                  2.29960000    6.17250000    5.96840000
 H                  3.78920000    6.25360000    6.88220000
 C                  3.89220000    4.98080000    5.14500000
 C                  3.29670000    4.91920000    3.87760000
 H                  2.29870000    5.32530000    3.73080000
 C                  3.97750000    4.35030000    2.79830000
 H                  3.50440000    4.31360000    1.82120000
 C                  5.26280000    3.83390000    2.97560000
 H                  5.79430000    3.39200000    2.13740000
 C                  5.86630000    3.89360000    4.23570000
 H                  6.86880000    3.50010000    4.37890000
 C                  5.18550000    4.46510000    5.31150000
 H                  5.66290000    4.51750000    6.28740000
 C                  1.84570000    6.26530000    8.85680000
 C                  3.78570000    6.10730000   10.20760000
 H                  4.27580000    5.42640000    9.51260000
 C                  4.23830000    7.54600000   10.06670000
 H                  5.14150000    7.70160000   10.67110000
 H                  4.55310000    7.68210000    9.02230000
 C                  3.22530000    8.62150000   10.39460000
 C                  3.59210000    9.71310000   11.18810000
 H                  4.60380000    9.75950000   11.58360000
 C                  2.68650000   10.73270000   11.48720000
 H                  2.99810000   11.56680000   12.10860000
 C                  1.38320000   10.67320000   10.98800000
 H                  0.66810000   11.45640000   11.21990000
 C                  1.00860000    9.60820000   10.17330000
 H                  0.00550000    9.56640000    9.75880000
 C                  1.91380000    8.57630000    9.87070000
 C                  1.50310000    7.50400000    8.96570000
 C                  3.00060000    5.54190000   11.16380000
 C                  2.34340000    6.27860000   12.30090000
 H                  2.71400000    7.29470000   12.43170000
 H                  2.50330000    5.72480000   13.23370000
 H                  1.25810000    6.32530000   12.14480000
 C                  2.73350000    4.05930000   11.14090000
 H                  1.65370000    3.86610000   11.13090000
 H                  3.12910000    3.59210000   12.05220000
 H                  3.18770000    3.56110000   10.27980000
 Au                 0.17610000    7.86380000    7.33320000
 P                 -1.40380000    8.17510000    5.61870000
 C                 -2.85380000    9.17150000    6.36250000
 C                 -1.83250000    6.42230000    4.97110000
 C                 -0.80460000    9.11570000    4.14350000
 C                  0.51980000    9.60470000    4.00280000
 C                 -1.69290000    9.27050000    3.05970000
 C                  0.89850000   10.18360000    2.77820000
 C                  1.57980000    9.59190000    5.05610000
 C                 -1.30270000    9.86600000    1.86290000
 H                 -2.70990000    8.91300000    3.13910000
 C                  0.00830000   10.31610000    1.71620000
 H                  1.91580000   10.54990000    2.67730000
 C                  1.50680000   10.45140000    6.16630000
 C                  2.73080000    8.80870000    4.88290000
 H                 -2.01900000    9.96720000    1.05310000
 H                  0.33520000   10.77430000    0.78740000
 C                  2.55430000   10.51500000    7.08770000
 H                  0.62830000   11.07440000    6.29980000
 C                  3.77830000    8.87300000    5.80530000
 H                  2.80330000    8.14620000    4.02460000
 C                  3.69270000    9.72350000    6.90950000
 H                  2.47510000   11.17040000    7.94920000
 H                  4.66060000    8.25700000    5.65540000
 H                  4.50670000    9.77500000    7.62660000
 C                 -4.02790000    9.46270000    5.41070000
 H                 -4.79960000   10.00080000    5.97470000
 H                 -3.73430000   10.10250000    4.57560000
 H                 -4.48800000    8.55240000    5.01940000
 C                 -2.23710000   10.51750000    6.80640000
 H                 -1.83160000   11.07880000    5.95790000
 H                 -3.02290000   11.12890000    7.26630000
 H                 -1.44170000   10.38160000    7.54710000
 C                 -3.38920000    8.42790000    7.60420000
 H                 -2.58990000    8.13960000    8.29580000
 H                 -4.07380000    9.09570000    8.14090000
 H                 -3.95250000    7.53180000    7.33270000
 C                 -2.94280000    6.33540000    3.90800000
 H                 -3.11580000    5.27610000    3.68220000
 H                 -3.89150000    6.75260000    4.25350000
 H                 -2.66060000    6.82130000    2.97200000
 C                 -2.21870000    5.52320000    6.16560000
 H                 -3.21410000    5.75760000    6.55070000
 H                 -2.23500000    4.48050000    5.82670000
 H                 -1.50730000    5.59430000    6.99440000
 C                 -0.51770000    5.89550000    4.35320000
 H                 -0.67760000    4.87000000    3.99870000
 H                 -0.18950000    6.50050000    3.50180000
 H                  0.28980000    5.87470000    5.09020000

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

Au 0
SDD




