%nproc=20
%Mem=40000MB
%Chk=AC01-N-JP-TS1a-2a_less
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                 -2.03130000   -0.32960000   -1.23310000
 C                 -1.39790000    0.72100000   -0.77960000
 C                 -1.59760000    2.13140000   -1.14570000
 C                 -1.98340000    2.49060000   -2.45560000
 C                 -1.33570000    3.14440000   -0.20650000
 H                 -1.03520000    2.86530000    0.79880000
 C                 -1.80260000    4.84240000   -1.85380000
 H                 -1.87460000    5.88790000   -2.13920000
 C                 -2.25960000    1.42650000   -3.49030000
 H                 -1.30570000    1.01040000   -3.83450000
 H                 -2.73470000    1.87770000   -4.37050000
 C                 -3.09780000    0.25620000   -3.02690000
 H                 -2.86610000   -0.67510000   -3.53920000
 C                 -4.27360000    0.28890000   -2.31620000
 C                 -5.10780000   -0.95710000   -2.20340000
 H                 -5.55720000   -1.05590000   -1.20950000
 H                 -4.54870000   -1.86330000   -2.45010000
 H                 -5.94100000   -0.88170000   -2.91620000
 C                 -4.87120000    1.51210000   -1.67990000
 H                 -5.94970000    1.53010000   -1.87580000
 H                 -4.43050000    2.44390000   -2.03090000
 H                 -4.75130000    1.46510000   -0.59000000
 Au                 0.24790000    0.26530000    0.49420000
 C                 -1.44920000    4.48920000   -0.54910000
 H                 -1.24870000    5.25580000    0.19290000
 C                 -2.06900000    3.84480000   -2.79350000
 H                 -2.35230000    4.11920000   -3.80660000
 C                 -2.80270000   -2.46740000   -0.14280000
 C                 -2.76250000   -3.84530000   -0.82380000
 H                 -3.82420000   -2.10900000   -0.01890000
 H                 -3.66140000   -4.05130000   -1.41100000
 H                 -2.58020000   -4.66070000   -0.12460000
 N                 -2.10470000   -1.66470000   -1.17530000
 C                 -1.34470000   -2.49420000   -2.02450000
 O                 -0.56150000   -2.12880000   -2.86650000
 O                 -1.63480000   -3.77610000   -1.73750000
 C                 -2.04400000   -2.41420000    1.19120000
 H                 -1.03470000   -2.80150000    1.02010000
 H                 -1.93890000   -1.36190000    1.47780000
 C                 -2.73580000   -3.18920000    2.28790000
 C                 -2.24830000   -4.43250000    2.71150000
 C                 -3.89440000   -2.67590000    2.89030000
 C                 -2.90300000   -5.15010000    3.71640000
 H                 -1.34470000   -4.83590000    2.26020000
 C                 -4.55150000   -3.39060000    3.89240000
 H                 -4.27900000   -1.70780000    2.57560000
 C                 -4.05670000   -4.63120000    4.30780000
 H                 -2.50940000   -6.11050000    4.03690000
 H                 -5.44540000   -2.97920000    4.35270000
 H                 -4.56590000   -5.18690000    5.09050000
 P                  1.98160000   -0.04000000    2.06900000
 C                  2.19530000   -1.90370000    2.43150000
 C                  1.48460000    0.99350000    3.60970000
 C                  3.64010000    0.60230000    1.55540000
 C                  3.46780000   -2.28830000    3.20860000
 C                  2.24920000   -2.59380000    1.04980000
 C                  0.96440000   -2.40180000    3.21220000
 C                  2.25870000    0.67000000    4.90130000
 C                 -0.02460000    0.80180000    3.88600000
 C                  1.72260000    2.46870000    3.21760000
 C                  3.88820000    1.21680000    0.30370000
 C                  4.68970000    0.56350000    2.49700000
 H                  3.44970000   -3.37230000    3.37510000
 H                  4.37680000   -2.05680000    2.64820000
 H                  3.52570000   -1.81070000    4.19020000
 H                  3.08800000   -2.22690000    0.44840000
 H                  2.38960000   -3.67170000    1.19640000
 H                  1.32800000   -2.44670000    0.47650000
 H                  0.02670000   -2.05810000    2.77360000
 H                  0.95500000   -3.49840000    3.20220000
 H                  0.98980000   -2.08500000    4.25860000
 H                  1.86570000    1.30220000    5.70700000
 H                  2.13110000   -0.37000000    5.21390000
 H                  3.32550000    0.88640000    4.82120000
 H                 -0.27100000   -0.21580000    4.19570000
 H                 -0.31400000    1.47480000    4.70240000
 H                 -0.63490000    1.05100000    3.01240000
 H                  1.35040000    3.11240000    4.02370000
 H                  2.78380000    2.68880000    3.07120000
 H                  1.18560000    2.73580000    2.29990000
 C                  5.15710000    1.77410000    0.06120000
 C                  2.91890000    1.34210000   -0.82630000
 C                  5.94160000    1.11160000    2.23420000
 H                  4.53530000    0.10150000    3.46090000
 C                  6.17720000    1.72840000    1.00630000
 H                  5.33410000    2.24470000   -0.90130000
 C                  2.65190000    0.25620000   -1.67520000
 C                  2.37290000    2.59800000   -1.13450000
 H                  6.72110000    1.05890000    2.98830000
 H                  7.14550000    2.16700000    0.78370000
 C                  1.86160000    0.42670000   -2.81460000
 H                  3.07460000   -0.71780000   -1.44800000
 C                  1.57990000    2.76670000   -2.26990000
 H                  2.57630000    3.44070000   -0.47950000
 C                  1.33640000    1.68480000   -3.11810000
 H                  1.65030000   -0.42360000   -3.45530000
 H                  1.14620000    3.73810000   -2.48740000
 H                  0.73880000    1.82410000   -4.01340000

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

Au 0
SDD




