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

opt freq

1 1
 C                 -2.00410000   -0.34160000   -1.20270000
 C                 -1.39630000    0.72740000   -0.77960000
 C                 -1.59840000    2.13460000   -1.14730000
 C                 -1.98580000    2.49060000   -2.45720000
 C                 -1.33570000    3.14680000   -0.20730000
 H                 -1.03440000    2.86690000    0.79800000
 C                 -1.80340000    4.84320000   -1.85460000
 H                 -1.87540000    5.88870000   -2.14000000
 C                 -2.26280000    1.42890000   -3.49510000
 H                 -1.30810000    1.00480000   -3.82730000
 H                 -2.71630000    1.89050000   -4.38170000
 C                 -3.12180000    0.26660000   -3.05250000
 H                 -2.87810000   -0.66950000   -3.55120000
 C                 -4.28240000    0.29370000   -2.33060000
 C                 -5.11340000   -0.95550000   -2.20660000
 H                 -5.54120000   -1.05990000   -1.20310000
 H                 -4.55510000   -1.86010000   -2.46450000
 H                 -5.96260000   -0.88490000   -2.90020000
 C                 -4.87680000    1.51370000   -1.68230000
 H                 -5.95610000    1.53810000   -1.87500000
 H                 -4.43610000    2.44790000   -2.02850000
 H                 -4.75290000    1.46110000   -0.59240000
 Au                 0.24950000    0.26530000    0.49500000
 C                 -1.44920000    4.49080000   -0.54990000
 H                 -1.24790000    5.25820000    0.19210000
 C                 -2.07060000    3.84560000   -2.79350000
 H                 -2.35550000    4.12000000   -3.80580000
 C                 -2.80350000   -2.47140000   -0.14120000
 C                 -2.76410000   -3.84770000   -0.82460000
 H                 -3.82420000   -2.11060000   -0.01970000
 H                 -3.66300000   -4.05290000   -1.41100000
 H                 -2.58020000   -4.66390000   -0.12700000
 N                 -2.10150000   -1.66710000   -1.17050000
 C                 -1.34230000   -2.49820000   -2.02530000
 O                 -0.55910000   -2.12960000   -2.86490000
 O                 -1.63720000   -3.77770000   -1.73990000
 C                 -2.04480000   -2.41660000    1.19200000
 H                 -1.03550000   -2.80470000    1.02090000
 H                 -1.93970000   -1.36430000    1.47860000
 C                 -2.73660000   -3.19080000    2.28870000
 C                 -2.24830000   -4.43410000    2.71230000
 C                 -3.89440000   -2.67670000    2.89110000
 C                 -2.90380000   -5.15090000    3.71720000
 H                 -1.34470000   -4.83750000    2.26100000
 C                 -4.55150000   -3.39140000    3.89320000
 H                 -4.27900000   -1.70860000    2.57560000
 C                 -4.05750000   -4.63200000    4.30860000
 H                 -2.51020000   -6.11130000    4.03850000
 H                 -5.44540000   -2.97920000    4.35350000
 H                 -4.56670000   -5.18690000    5.09130000
 P                  1.98240000   -0.04000000    2.06980000
 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                  2.39040000   -3.67170000    1.19640000
 H                  1.32800000   -2.44750000    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                 -0.63570000    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                  1.33560000    1.68480000   -3.11810000
 H                  1.65030000   -0.42360000   -3.45530000
 H                  1.14540000    3.73810000   -2.48740000
 H                  0.73800000    1.82410000   -4.01340000

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

Au 0
SDD




