%mem=48GB
%nprocshared=24
#p opt=calcfc freq B3LYP/cc-pVTZ scrf=(PCM,solvent=water) empiricaldispersion=gd3bj nosymm

System4NitroFurantoin

0 1
 O                 -0.35643900   -0.49300300   -0.00001500
 C                  0.75157400    0.26175700    0.00001100
 C                  0.47970300    1.59807400    0.00004900
 H                  1.19861800    2.39614500    0.00007400
 C                 -1.39793500    0.38750900    0.00000400
 C                 -0.93148200    1.67724300    0.00004400
 H                 -1.53631300    2.56707500    0.00006900
 C                 -2.75914600   -0.13085400   -0.00002000
 H                 -3.52663200    0.66027500   -0.00000600
 O                 -3.04202700   -1.30964300   -0.00005100
 N                  2.00936100   -0.42200000    0.00000300
 O                  2.00209000   -1.64480300    0.00001200
 O                  3.01109300    0.28458200   -0.00001200

