%mem=8800MB
%nprocshared=16
#p opt=(ts,calcfc,noeigentest,maxstep=5) freq=noraman b3lyp/cc-pvtz scrf=(read,pcm) nosymm empiricaldispersion=gd3bj

Second ts NitroFurantoin second trial

0 1
 C                  1.22801500   -0.59207300    1.72642100
 C                  3.28163800    0.25063600    1.07241300
 C                  2.83833800   -0.76302800    0.01857900
 H                  2.65702600   -0.25413800   -0.92924400
 H                  3.59598600   -1.52978400   -0.13331700
 N                  2.28383000    0.26101400    2.02526400
 H                  2.26098300    0.88937100    2.81291300
 O                  4.28987500    0.90461200    1.07122900
 O                  0.17807200   -0.71531200    2.31534900
 N                  1.62175900   -1.29387200    0.60804300
 N                  0.66243500   -1.95922800   -0.14414800
 H                  1.09026800   -2.63455300   -0.80113600
 H                 -0.38510600   -2.46457000   -2.64567800
 H                  0.00545400   -2.41176700    0.48685900
 Cl                 1.25599100   -3.26599200   -2.90414600
 O                 -0.57045800    0.92842700   -0.09344500
 C                 -1.42278400    1.50406100    0.77070900
 C                 -2.65866900    0.92915900    0.73479500
 H                 -3.50799200    1.21221300    1.32824700
 C                 -1.27163100   -0.08108700   -0.68927500
 C                 -2.55752600   -0.11226500   -0.21771200
 H                 -3.32128400   -0.80805600   -0.51519300
 C                 -0.51177600   -0.93230700   -1.56151900
 H                  0.39775200   -0.53626900   -1.99781700
 O                 -1.11909900   -1.90231000   -2.15710500
 N                 -0.90443700    2.55377000    1.59199600
 O                  0.28845900    2.81114400    1.50373200
 O                 -1.70661600    3.10590600    2.33228500

Eps=2.350




