%chk=000217689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217689

0 1
Br 5.226354 1.554975 -0.283402
Cl 0.182701 3.229380 1.098040
O -4.835435 -0.010581 1.724117
O -2.838522 0.600746 2.504564
N -0.729087 0.426963 0.785211
C 1.526462 -0.449975 0.138807
C 0.659296 0.645768 0.501911
C 2.904710 -0.191224 -0.110027
C -1.668761 0.078676 -0.181984
C 1.187773 1.917908 0.640782
C 1.043399 -1.792523 0.043748
C 3.386529 1.151063 0.037499
C 3.753184 -1.280010 -0.483291
C 2.564518 2.181944 0.413856
C -3.038270 -0.065621 0.187219
C 1.885204 -2.818273 -0.307562
C 3.256335 -2.556533 -0.581716
C -1.289118 -0.165110 -1.532858
C -3.975443 -0.472771 -0.791724
C -2.234511 -0.557375 -2.461231
C -3.587382 -0.721373 -2.095629
C -3.486357 0.210134 1.545599
H -1.061538 0.760407 1.715898
H -0.007737 -1.992817 0.263756
H 4.809037 -1.092841 -0.689728
H 2.932138 3.205576 0.538035
H 1.518249 -3.842314 -0.378053
H 3.904504 -3.385986 -0.865680
H -0.251118 -0.031194 -1.834268
H -5.023085 -0.585165 -0.490914
H -1.936226 -0.741758 -3.495761
H -4.314005 -1.034476 -2.840661
H -5.119598 0.189680 2.658347


%chk=000217689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217689

0 1
Br 5.340296 1.561087 -0.216024
Cl 0.183272 3.357299 1.118958
O -4.827927 -0.084024 1.801246
O -2.730195 0.610778 2.479165
N -0.735145 0.482448 0.716192
C 1.530377 -0.423306 0.135053
C 0.652373 0.678554 0.477316
C 2.947167 -0.191972 -0.098697
C -1.681801 0.083418 -0.227047
C 1.227202 1.945504 0.649202
C 1.032762 -1.765586 0.051372
C 3.441476 1.146544 0.073679
C 3.780230 -1.300459 -0.459679
C 2.614139 2.197421 0.459935
C -3.062328 -0.094312 0.163933
C 1.874100 -2.826207 -0.287175
C 3.256563 -2.590231 -0.559079
C -1.333568 -0.146977 -1.593364
C -4.021743 -0.512828 -0.802837
C -2.302366 -0.554907 -2.521997
C -3.656163 -0.749876 -2.135235
C -3.476813 0.175021 1.544838
H -1.138027 0.776071 1.626816
H -0.022148 -1.949544 0.269296
H 4.842868 -1.120847 -0.647729
H 3.004212 3.207874 0.598839
H 1.474787 -3.844449 -0.340043
H 3.908675 -3.426080 -0.833121
H -0.301162 0.011238 -1.916291
H -5.057051 -0.638749 -0.474427
H -2.004243 -0.718050 -3.563978
H -4.402577 -1.069282 -2.868533
H -5.013042 0.139731 2.752317


