%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         -2.76600       -1.12600       -0.59200
C         -4.98800       -0.48000       -0.65600
C         -4.47600       -0.23300        0.75600
H         -4.38000        0.84300        0.91900
H         -5.13900       -0.67600        1.49600
N         -3.91200       -0.99100       -1.35800
H         -3.93000       -1.20500       -2.34300
O         -6.09300       -0.27500       -1.08100
O         -1.65600       -1.41300       -0.95800
N         -3.16500       -0.88500        0.72600
N         -2.15100       -0.37600        1.57900
H         -2.34800       -0.64300        2.54100
H         -1.21000       -0.75200        1.31000
H         -2.08700        0.72100        1.43200
Cl        -2.06000        2.36400        0.67300
O          3.19900       -0.35400        0.31400
C          4.30400        0.11700       -0.27500
C          4.05400        1.18200       -1.09100
H          4.77700        1.72700       -1.66800
C          2.17700        0.43300       -0.13400
C          2.65800        1.38700       -0.99700
H          2.07000        2.14000       -1.49300
C          0.82900        0.18100        0.32300
H          0.07400        0.86300       -0.09300
O          0.53400       -0.69900        1.11700
N          5.54400       -0.54300        0.02700
O          5.51600       -1.48800        0.79700
O          6.53800       -0.09000       -0.52600

Eps=2.350


