%chk=000238746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238746

0 1
Cl 2.387546 3.123945 0.396923
N -0.489232 -1.134037 -0.024896
N 1.855658 -1.309395 -0.148133
N 3.293668 0.684215 0.058212
N 4.212047 -1.487353 -0.140252
C -1.737631 -0.405731 -0.027427
C 0.743049 -0.499121 -0.001912
C -0.560419 -2.614037 -0.137966
C -2.004363 0.534273 -1.037748
C -2.684011 -0.672376 0.976724
C 0.874621 0.908407 0.184441
C -3.225827 1.210730 -1.031860
C -3.902155 0.010599 0.961483
C -4.175191 0.950490 -0.037786
C 2.166996 1.422510 0.197667
C 3.086691 -0.687188 -0.086460
H -0.072182 -3.087127 0.733821
H -0.023224 -2.957874 -1.042322
H -1.604978 -2.953520 -0.197442
H -1.266132 0.733302 -1.814725
H -2.465573 -1.393660 1.762623
H 0.010529 1.547401 0.330286
H -3.439275 1.943905 -1.809993
H -4.640974 -0.188202 1.737870
H -5.125846 1.481024 -0.041039
H 5.117791 -1.054595 -0.246875
H 4.118214 -2.456883 -0.398615


%chk=000238746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238746

0 1
Cl 2.500187 3.192685 0.422283
N -0.483001 -1.119449 -0.013481
N 1.849308 -1.297390 -0.165923
N 3.325276 0.647966 0.010553
N 4.177911 -1.507989 -0.302554
C -1.730557 -0.401080 -0.019212
C 0.755478 -0.482406 -0.015216
C -0.509578 -2.602421 -0.017497
C -1.987098 0.601303 -0.991235
C -2.739200 -0.732717 0.921787
C 0.904388 0.933628 0.174052
C -3.229336 1.270524 -1.006997
C -3.985275 -0.069317 0.890706
C -4.235054 0.938602 -0.068971
C 2.224833 1.399227 0.173152
C 3.078068 -0.698753 -0.147773
H -0.053179 -3.014100 0.900387
H 0.065826 -2.988608 -0.875259
H -1.556465 -2.932140 -0.096289
H -1.221787 0.838300 -1.737458
H -2.539146 -1.495131 1.682634
H 0.059790 1.599017 0.340311
H -3.416276 2.040981 -1.763093
H -4.755288 -0.331751 1.624570
H -5.200064 1.456016 -0.088052
H 5.103028 -1.087438 -0.291763
H 4.047006 -2.507858 -0.425064


