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

Minima4NitroFurantoin

0 1
 C                 -0.31283300   -0.73800900    0.64429000
 H                 -1.21225000   -1.34763700    0.53168900
 O                  0.63608900   -1.50024500    1.29940100
 N                  0.18948700   -0.34796300   -0.71649200
 H                  1.64827500    0.42573900   -0.53654900
 H                 -0.45016800    0.31226900   -1.14723800
 C                 -0.65963500    0.53122100    1.35799500
 O                 -1.77008500    1.16373000    0.89344300
 C                 -1.90218900    2.28728300    1.63276100
 C                 -0.90917900    2.39640600    2.55875000
 C                 -0.09577100    1.24595400    2.37542600
 N                 -3.01352000    3.11623200    1.33633000
 O                 -3.12564600    4.14972000    1.99164800
 O                 -3.78571100    2.75494900    0.45421100
 H                  0.79103200    0.98404000    2.92261500
 H                 -0.78252700    3.19269300    3.26833700
 N                  0.31105200   -1.43771300   -1.57630300
 C                  1.49814300   -2.26747900   -1.65732500
 C                  1.00704500   -3.43233100   -2.50444200
 N                 -0.31240400   -3.16827000   -2.78641800
 C                 -0.77219100   -1.98602600   -2.20198300
 H                  2.32594900   -1.75902400   -2.15095800
 O                  1.64333900   -4.39643900   -2.85766400
 O                 -1.89315200   -1.52664200   -2.24927400
 H                 -0.90475700   -3.76455500   -3.34362500
 H                  1.81826800   -2.62364500   -0.68058500
 H                  1.47067800   -0.97928800    1.39832800
 O                  2.86475000   -0.07649700    1.48678000
 C                  4.49486400    1.46817200    0.66600100
 C                  3.22204700    0.68779600    0.59614100
 O                  2.52136500    0.92789700   -0.49240300
 H                  4.26177800    2.46694300    1.05796300
 H                  5.19721700    0.98409500    1.36281100
 H                  4.93752400    1.59421500   -0.31639100

