%nprocshared=24
%mem=100GB
#p b3lyp/gen EmpiricalDispersion=GD3 scrf=(cpcm,solvent=generic,read)

Ligand - H

-1 1
 C                  1.43454500    1.06523500   -0.95690600
 H                  1.28527800    0.71776500   -1.98550900
 H                  2.33509000    1.68010000   -0.90931900
 H                  0.56215400    1.65811900   -0.66684200
 C                  1.58387700   -0.09384500    0.01226900
 O                  2.55240400   -0.18749400    0.77542200
 N                  0.61927300   -1.05752400   -0.03177700
 H                  0.69793800   -1.71306200    0.73781900
 C                 -0.72196800   -0.87777500   -0.57559000
 H                 -1.20715500   -1.85769500   -0.60631400
 H                 -0.65199200   -0.53909400   -1.61567800
 C                 -1.64886300    0.12553000    0.19429700
 O                 -2.85188400    0.08241200   -0.16934000
 O                 -1.10574000    0.87279000    1.04690000

-N -C -H -O 0
cc-pVTZ
****

solventname=HFIP 
eps=16.7
epsinf=1.625625



