%mem=48GB
%nprocshared=24
#p opt freq=noraman b3lyp/cc-pVTZ empiricaldispersion=gd3bj nosymm SCRF=(PCM,Read)

Second ts NitroFurantoin second trial

0 1
C         -0.97300       -1.19600       -0.18800
C         -1.71700        0.98500       -0.00500
C         -0.43000        0.87200        0.80100
H          0.37400        1.43100        0.31700
H         -0.57600        1.24000        1.81400
N         -1.93900       -0.27200       -0.54400
H         -2.70100       -0.49500       -1.16600
O         -2.40600        1.95800       -0.15300
O         -0.81000       -2.31900       -0.60300
N         -0.18400       -0.57000        0.76600
N          1.12700       -1.08700        0.89900
H          1.31900       -1.30100        1.87600
H          1.14600       -1.96200        0.36600
H          1.94900       -0.31800        0.43500
Cl         2.93200        0.78400       -0.24300

Eps=2.453





