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

Second ts NitroFurantoin second trial

0 1
C         -2.85200       -1.11200       -0.62900
C         -5.08400       -0.51300       -0.56600
C         -4.50200       -0.26200        0.81800
H         -4.42800        0.81500        0.98800
H         -5.10800       -0.72800        1.59100
N         -4.04200       -0.99900       -1.32900
H         -4.11200       -1.21800       -2.31100
O         -6.21600       -0.32500       -0.92800
O         -1.75800       -1.38000       -1.05900
N         -3.17800       -0.87600        0.70600
N         -2.12900       -0.36600        1.51100
H         -2.27400       -0.64200        2.48000
H         -1.20100       -0.74000        1.19600
H         -2.07600        0.71900        1.38200
Cl        -2.07300        2.41600        0.64100
O          3.22000       -0.35600        0.29300
C          4.35300        0.12300       -0.23500
C          4.14300        1.19900       -1.04800
H          4.89200        1.75300       -1.58200
C          2.22200        0.43900       -0.19400
C          2.74400        1.40400       -1.02000
H          2.18400        2.16400       -1.53400
C          0.85700        0.18000        0.20300
H          0.11800        0.87000       -0.22600
O          0.53300       -0.71800        0.96600
C          5.47800       -0.38100        0.04630
C          5.65200       -1.46120        0.92730
C          6.60940        0.20830       -0.54010
C          6.91340       -1.93890        1.21430
H          4.79420       -1.92680        1.38750
C          7.87550       -0.26460       -0.25640
H          6.48810        1.03830       -1.21790
C          8.01610       -1.33500        0.61880
H          7.05340       -2.76730        1.88970
H          8.74920        0.18190       -0.70340
N          9.35080       -1.83810        0.91900
O         10.31160       -1.29420        0.38250
O          9.45470       -2.78170        1.69710

Eps=2.453



