%mem=8800MB
%nprocshared=16
#p opt=(calcfc,ts,noeigentest,maxstep=1) freq=noraman b3lyp/cc-pvtz scrf=(solvent=water,pcm) nosymm empiricaldispersion=gd3bj scf=xqc

Minima4NitroFurantoin

0 1
 C                     0.58351  -1.74935  -0.49306 
 H                    -0.15916  -2.54366  -0.64802 
 O                     1.6601   -2.07779   0.14384 
 N                     0.97233  -1.47446  -2.14794 
 H                     2.00174  -1.21688  -2.13275 
 H                     0.42669  -0.70936  -2.55134 
 C                    -0.06739  -0.46805  -0.08385 
 O                    -1.28701  -0.18302  -0.62208 
 C                    -1.65245   1.01206  -0.10565 
 C                    -0.70921   1.50229   0.74698 
 C                     0.32598   0.53268   0.75766 
 N                    -2.90452   1.54047  -0.51176 
 O                    -3.22662   2.62638  -0.03399 
 O                    -3.58      0.8932   -1.30505 
 H                     1.24394   0.5629    1.31555 
 H                    -0.75911   2.42915   1.28784 
 N                     0.77123  -2.59546  -2.95412 
 C                     1.74401  -3.6601   -3.11061 
 C                     1.15837  -4.42574  -4.29385 
 N                     0.05317  -3.71275  -4.70293 
 C                    -0.17309  -2.5668   -3.94605 
 H                     2.73571  -3.27853  -3.35762 
 O                     1.57684  -5.44874  -4.77502 
 O                    -1.00974  -1.70836  -4.11453 
 H                    -0.53426  -3.97264  -5.48025 
 H                     1.81053  -4.29941  -2.23242 
 H                     2.79076  -1.2248    0.1344 
 O                     3.68044  -0.64696   0.12252 
 C                     5.47982   0.22506  -1.13492 
 C                     4.14495  -0.46049  -1.08217 
 O                     3.56472  -0.82577  -2.10968 
 H                     5.55409   0.98185  -0.35744 
 H                     6.25765  -0.5184   -0.95087 
 H                     5.64106   0.66366  -2.11491 
 
