%nprocshared=8
%mem=22GB
#p opt freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Opt freq

1 1
 C                 -3.11923481   -0.77718147    0.01929121
 C                 -2.61233601    0.48762169    0.01698029
 N                 -4.51172000   -0.69562177   -0.00343178
 H                 -2.59950671   -1.71133837    0.14211900
 O                 -3.82601861    1.36632929   -0.00904265
 O                 -1.41609517    1.09083635    0.03126199
 C                 -5.41477154   -1.84489300   -0.00854089
 H                 -5.21663083   -2.45261604   -0.89354192
 H                 -5.24471657   -2.43842128    0.89179977
 H                 -6.44544879   -1.49007968   -0.02757339
 C                 -4.87681055    0.56667536   -0.01908904
 H                 -5.88827705    0.94346144   -0.03790767
 P                  2.90358059   -0.40273650    0.00000955
 Au                 0.67301112    0.32248594   -0.00180026
 C                  3.47418502   -1.02855039   -1.62942247
 H                  3.39025862   -0.23290263   -2.37491022
 H                  4.51557104   -1.36058671   -1.56486823
 H                  2.84359060   -1.86728504   -1.93779855
 C                  3.25851154   -1.77383011    1.16849986
 H                  2.63102787   -2.63493347    0.92183097
 H                  4.31320352   -2.06081849    1.10294073
 H                  3.03161561   -1.45251563    2.18885502
 C                  4.10706884    0.90955631    0.44693273
 H                  3.88593967    1.27607370    1.45340705
 H                  5.12821204    0.51569998    0.41924864
 H                  4.01855946    1.74139562   -0.25760604

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

Au 0
SDD





