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

Second ts NitroFurantoin second trial

0 1
N         -0.07800        0.27100       -1.59600
H         -0.99100        0.41700       -2.01400
H         -0.16800        0.40300       -0.59400
N          0.34300       -1.03200       -1.85300
C          1.56700       -1.31800       -2.57000
C          1.56600       -2.83200       -2.59400
N          0.44700       -3.23700       -1.95100
C         -0.32800       -2.15700       -1.48500
H          1.56000       -0.92000       -3.58600
O          2.41700       -3.55500       -3.09800
O         -1.37600       -2.24100       -0.88000
H          0.21600       -4.22800       -1.82900
H          2.45200       -0.94400       -2.05300
H         -1.94700       -3.38260       -0.52920
O         -2.31320       -4.27860       -0.28580
C         -2.07470       -6.62070       -0.36840
C         -1.54000       -5.26430       -0.72080
O         -0.50370       -5.08920       -1.34240
H         -2.16740       -6.70690        0.71360
H         -3.07120       -6.74190       -0.79160
H         -1.41400       -7.39340       -0.74700




