%chk=000184271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184271

0 1
Cl -2.582264 -1.780629 1.741266
S 0.139440 -0.429902 -0.826450
N -0.502054 1.031961 1.195953
N 0.844816 0.982290 1.207758
N 4.577181 -1.268841 -1.020217
C -2.490502 0.211977 -0.087141
C -1.074750 0.349799 0.214895
C 2.799094 0.043586 -0.013643
C 1.388239 0.260329 0.228141
C -3.285363 -0.746544 0.562936
C -3.088297 1.052656 -1.042973
C 3.752802 0.931073 0.523960
C -4.645431 -0.882233 0.271440
C -4.446421 0.921789 -1.338583
C -5.222701 -0.042686 -0.684539
C 3.261978 -1.053503 -0.777389
C 5.107564 0.709425 0.277223
C 5.482815 -0.397955 -0.501395
H -2.487201 1.812247 -1.545932
H 3.425291 1.780994 1.131303
H -5.245631 -1.632027 0.788768
H -4.904845 1.577090 -2.079400
H -6.283647 -0.138537 -0.918768
H 2.573190 -1.793189 -1.207190
H 5.862298 1.381136 0.682679
H 6.535699 -0.611208 -0.724604


%chk=000184271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184271

0 1
Cl -3.006511 -0.790934 2.611891
S 0.141365 -0.286050 -1.098103
N -0.491686 0.570456 1.357117
N 0.900996 0.563803 1.316352
N 4.702997 -0.408110 -1.655466
C -2.515459 0.102617 -0.038268
C -1.071663 0.171184 0.223234
C 2.849129 0.088047 -0.122795
C 1.411446 0.162163 0.142236
C -3.481422 -0.274056 0.938634
C -2.999429 0.430166 -1.339929
C 3.777730 0.439565 0.898349
C -4.858192 -0.309535 0.637346
C -4.370585 0.394549 -1.651828
C -5.306561 0.027479 -0.657632
C 3.372891 -0.328343 -1.378971
C 5.155308 0.360647 0.622964
C 5.575325 -0.065866 -0.660284
H -2.276314 0.738256 -2.103455
H 3.398895 0.762101 1.872604
H -5.568305 -0.608114 1.413738
H -4.707060 0.658305 -2.659203
H -6.377353 -0.001511 -0.883526
H 2.700527 -0.610055 -2.199704
H 5.896146 0.622817 1.384311
H 6.639084 -0.140483 -0.911515


