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

Second ts NitroFurantoin second trial

0 1
 C                  0.61226100   -1.13095300    1.11476900
 H                  0.38044900   -0.24479200    1.71541900
 O                  0.52903600   -2.31478700    1.86848500
 H                 -0.41787700   -2.48770400    2.02353400
 C                 -2.21412500    0.43794700   -0.43131800
 C                 -2.46045100   -1.34593800    1.06482400
 C                 -3.63229300    0.38935100    0.10335400
 H                 -2.20767500    0.30245100   -1.51346700
 H                 -1.74334000    1.39240700   -0.19611400
 N                 -1.58853800   -0.67384500    0.26297600
 O                 -2.24935100   -2.32066000    1.76084400
 O                 -4.55557800    1.14023000   -0.15569600
 N                 -3.68531200   -0.67411100    0.95309200
 H                 -4.50293600   -0.94674000    1.47760900
 N                 -0.29326200   -1.07468800   -0.03026700
 H                 -0.29142200   -1.95092300   -0.54381700
 H                 -4.21794100    2.36416000   -1.24965600
 Cl                -3.85895600    3.29616200   -2.12635000
 O                  2.39297100    0.13495100    0.05568000
 C                  3.68500300   -0.02065100   -0.31321200
 C                  4.15134800   -1.26101200    0.00106300
 H                  5.14139500   -1.63411000   -0.18516500
 C                  2.02013500   -1.04118200    0.62235800
 C                  3.05798500   -1.92660800    0.61555000
 H                  3.03386100   -2.92549500    1.00968400
 N                  4.32202900    1.08310800   -0.93926400
 O                  5.49567400    0.92506400   -1.26833900
 O                  3.67291300    2.10857000   -1.11037600
 
Eps=2.350



