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

Minima4NitroFurantoin

0 1
 C                    -1.05933  -0.7723    0.388 
 H                    -1.72081  -1.60822   0.54277 
 O                     1.61951  -2.57884   1.29721 
 N                    -0.10051  -0.80701  -0.46174 
 H                     1.13172   0.54613  -0.47249 
 C                    -1.28023   0.4109    1.20013 
 O                    -0.91502   1.60135   0.64814 
 C                    -1.13177   2.53565   1.60247 
 C                    -1.63742   1.98623   2.75233 
 C                    -1.75037   0.60628   2.48411 
 N                    -0.80878   3.87153   1.27798 
 O                    -0.99308   4.70992   2.16219 
 O                    -0.33514   4.10566   0.16017 
 H                    -2.10317  -0.15188   3.16389 
 H                    -1.88949   2.51058   3.66115 
 N                     0.06442  -1.89852  -1.23411 
 C                     1.29047  -2.03955  -2.00916 
 C                     1.10178  -3.39193  -2.67214 
 N                    -0.10532  -3.86752  -2.21137 
 C                    -0.75328  -3.00502  -1.32997 
 H                     1.39293  -1.25069  -2.75388 
 O                     1.85201  -3.95582  -3.43194 
 O                    -1.80583  -3.19466  -0.76598 
 H                    -0.49853  -4.76197  -2.46478 
 H                     2.16325  -2.05203  -1.35568 
 H                     2.00656  -1.6056    1.28928 
 O                     2.71163   0.16729   1.27483 
 C                     3.69924   2.23933   0.56232 
 C                     2.71791   1.10414   0.50176 
 O                     1.85333   1.23822  -0.51078 
 H                     3.15936   3.17192   0.72351 
 H                     4.41517   2.0855    1.36539 
 H                     4.21981   2.32316  -0.39152 
 H                     2.39937  -3.19365   1.53834 
 
