%nprocshared=24
%mem=41GB
#p opt freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Opt freq

0 1
 C                 -1.36760025   -1.66015134   -0.98277593
 C                 -0.07071902   -2.31045478   -1.53686264
 C                 -1.90324339   -2.38203974    0.17666389
 H                 -2.95552546   -2.27845494    0.42742773
 N                  0.27206165   -3.22682099    0.71131904
 C                  1.12618586   -3.73610250    1.79225744
 H                  1.05559142   -3.05764139    2.64575708
 H                  0.77934868   -4.73032272    2.08460393
 H                  2.15866715   -3.78695226    1.44956434
 C                  0.78587988   -2.79423756   -0.40337891
 H                  1.84817090   -2.92575210   -0.54454493
 C                 -1.12452144   -3.12494651    0.99060618
 H                 -1.44402384   -3.62165511    1.89577863
 H                 -2.10828790   -1.55310373   -1.78109903
 P                 -0.15508158    2.39100213    0.49740015
 Au                -0.91650389    0.31161462   -0.26308995
 C                  0.96052065    2.19389743    1.94580318
 H                  1.67520300    1.39767300    1.72065796
 H                  1.48423640    3.12926590    2.17066619
 H                  0.36821729    1.89022721    2.81460747
 C                 -1.37448585    3.66119608    1.02939084
 H                 -1.97573463    3.26792255    1.85443909
 H                 -0.86308654    4.57307236    1.35630717
 H                 -2.04019880    3.89993537    0.19471445
 C                  0.87439020    3.24351772   -0.76337632
 H                  0.23548886    3.56197082   -1.59297583
 H                  1.37531814    4.11791584   -0.33402425
 H                  1.60561308    2.52611716   -1.14617999
 H                  0.53523812   -1.55623186   -2.04624382
 O                  2.05087013    0.19532753   -1.63802836
 C                  2.54781801   -0.03778468   -0.50427017
 O                  2.03709777   -0.74984520    0.41669302
 C                  3.88389141    0.65574656   -0.17222520
 H                  4.43813670    0.11315615    0.59931584
 H                  4.50019572    0.76690758   -1.06985302
 H                  3.67466502    1.66388162    0.21030330
 H                 -0.25407326   -3.10847396   -2.22566349

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

Au
SDD



