%mem=3000MB
%nprocshared=4
#p opt=maxstep=1 freq=noraman b3lyp/6-311+g(d)
scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym)

ch3nch33-sh_6311+Gd_ch2cl2

0 1
 N                 -1.41820300    0.00119400   -0.00064500
 C                  0.06614000    0.21074500   -0.14347400
 H                  0.43074600    0.74628000    0.72941100
 H                  0.55171400   -0.75859800   -0.21499800
 H                  0.25376800    0.79040000   -1.04417100
 C                 -2.10496100    1.33249600    0.10176200
 H                 -3.17647500    1.16929200    0.20184500
 H                 -1.72185000    1.85799300    0.97444000
 H                 -1.89464600    1.90568200   -0.79927700
 C                 -1.93538800   -0.74056900   -1.19949000
 H                 -1.42048300   -1.69692200   -1.26734800
 H                 -3.00616100   -0.89826200   -1.08238300
 H                 -1.73770000   -0.14817000   -2.09081900
 C                 -1.69064700   -0.80119800    1.23964600
 H                 -1.31070600   -0.25424200    2.10024600
 H                 -2.76513400   -0.95063100    1.33300200
 H                 -1.18411600   -1.76060700    1.15536000
 S                  3.50266100   -0.00602100    0.00530200
 H                  4.85501500    0.07691800   -0.06628400

