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

Second ts NitroFurantoin second trial

0 1
H          1.76300       -0.74100        0.94700
Cl         3.45100        0.30000        0.63300
C         -1.41800       -1.22700        0.53600
C         -1.50600        0.64300       -0.82500
C         -0.09800        0.57100       -0.24200
H          0.62800        0.38200       -1.03400
H          0.16000        1.49600        0.26700
N         -2.18900       -0.44300       -0.30900
H         -3.15000       -0.66200       -0.52400
O         -1.93900        1.47200       -1.58000
O         -1.71000       -2.27900        1.05600
N         -0.22600       -0.55100        0.67800
N          0.88000       -1.25300        1.20600
H          0.81800       -1.27300        2.26200
H          0.92200       -2.23300        0.81000
C          6.20640       -1.80550       -0.68960
C          6.81060       -3.61160        0.63060
C          5.42540       -3.89240        0.05890
H          5.41620       -4.83730       -0.48170
H          4.69570       -3.94460        0.86930
N          7.17350       -2.37790        0.14210
H          8.04330       -1.91530        0.35640
O          7.45840       -4.31920        1.36210
O          6.23490       -0.70630       -1.19420
N          5.21560       -2.74510       -0.80600
N          3.97330       -2.44980       -1.37430
H          3.76720       -1.46140       -1.24620
H          4.01050       -2.61570       -2.37520
Cl         1.56310       -3.60760        0.53960
H          3.25130       -3.01590       -0.95180

Eps=2.350



