%mem=8800MB
%nprocshared=16
#p opt freq=noraman b3lyp/cc-pvtz scrf=(solvent=water,pcm)
nosymm empiricaldispersion=gd3bj scf=xqc

Minima4NitroFurantoin

0 1
 C                 -0.37758300   -0.86566500    1.18724700
 H                 -1.21655800   -1.41008700    0.73855500
 O                  0.68802000   -1.41742900    1.43332800
 N                 -0.02079300   -0.14350200   -1.21797600
 H                  0.87881400    0.30900400   -1.07422900
 H                 -0.62042200    0.47095000   -1.74247400
 C                 -0.66532200    0.50280700    1.58838000
 O                 -1.84630600    1.03544900    1.15864800
 C                 -1.89198700    2.28098200    1.65954600
 C                 -0.79043600    2.57663500    2.40974200
 C                  0.01099800    1.41327200    2.36052600
 N                 -3.02502200    3.07782500    1.32302000
 O                 -3.08019000    4.19236900    1.83384500
 O                 -3.85399000    2.60851600    0.55383700
 H                  0.96292600    1.25852400    2.83465000
 H                 -0.59122000    3.50297300    2.91546700
 N                  0.20251600   -1.29982200   -2.00289400
 C                  1.40881800   -2.09405800   -1.85804400
 C                  1.00414200   -3.41524600   -2.49953100
 N                 -0.32801200   -3.29208800   -2.79007600
 C                 -0.85463000   -2.04162500   -2.42423400
 H                  2.26202900   -1.65486500   -2.37268800
 O                  1.71129700   -4.37533900   -2.70732000
 O                 -2.02006100   -1.70139100   -2.48916200
 H                 -0.88907300   -4.01649400   -3.21958500
 H                  1.66636400   -2.25801300   -0.81099100
 H                  2.15073800   -0.55847100    1.53350900
 O                  3.02298500   -0.09491400    1.66570700
 C                  4.62880000    1.40024700    0.80307500
 C                  3.31067600    0.70345200    0.64060500
 O                  2.58756500    0.83901200   -0.32966600
 H                  4.76202600    1.73862300    1.83222700
 H                  5.43020300    0.68594400    0.58171900
 H                  4.69471500    2.23637900    0.10933500

