%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         -7.54800       -0.66600       -0.08900
C         -9.19900        0.20600        1.30700
C         -8.02100        1.17400        1.30900
H         -8.32500        2.15600        0.93200
H         -7.61600        1.28900        2.31900
N         -8.82500       -0.82400        0.47100
H         -9.40200       -1.63000        0.26200
O        -10.24700        0.31300        1.91200
O         -7.00600       -1.44100       -0.85800
N         -7.06500        0.53000        0.41600
N         -5.88600        1.17000        0.18400
O         -3.52600        2.54600       -0.24200
C         -2.28500        2.97000       -0.64000
C         -1.72800        2.03200       -1.48300
H         -0.75800        2.08900       -1.95500
C         -3.75700        1.33600       -0.83400
C         -2.67300        0.98300       -1.60700
H         -2.57900        0.07800       -2.19000
C         -4.99700        0.64600       -0.59600
H         -5.11900       -0.30700       -1.10200
C         -1.82600        4.24600       -0.13100
C         -0.56000        4.74800       -0.50200
C         -2.63400        5.00600        0.74100
C         -0.11300        5.96800       -0.02000
H          0.07700        4.17900       -1.17100
C         -2.19400        6.22800        1.22700
H         -3.60700        4.63000        1.03300
C         -0.93600        6.69900        0.84200
H          0.85600        6.35900       -0.30200
H         -2.80900        6.81700        1.89600
N         -0.47100        7.98300        1.35100
O         -1.21300        8.61600        2.11000
O          0.64500        8.38200        1.00000

Eps=2.453





