%mem=48GB
%nprocshared=24
#p opt=calcfc freq=noraman b3lyp/cc-pvtz scrf=(PCM,solvent=water) nosymm empiricaldispersion=gd3bj

Minima4NitroFurantoin

0 1
C         -2.05160        0.92270        1.18350
H         -2.83290        1.42310        1.75560
H         -2.11550       -0.15320        1.34600
H         -2.18390        1.13800        0.12320
O          0.33000        0.80260        0.92340
C         -0.69250        1.39420        1.60540
O         -0.53710        2.22230        2.47110
H          1.16730        1.16070        1.22720












