%chk=000290159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290159

0 1
Br -6.302744 -2.399638 -2.305641
S 0.611489 2.194025 0.193256
O -0.318242 -1.404287 1.192865
N 1.567612 -0.107793 0.997007
C -0.576577 0.791308 0.153081
C 2.108659 1.161405 0.461926
C -0.865596 0.425009 -1.310730
C 0.184369 -0.357865 0.836564
C -1.781595 1.298167 0.900326
C 2.840246 1.049626 -0.847785
C -2.191877 -0.260842 -1.518372
C 2.479307 -1.032342 1.634410
C -2.312498 0.620191 2.005940
C -2.388514 2.490493 0.464013
C 3.567294 2.168857 -1.290722
C 2.814219 -0.112085 -1.630218
C -2.446784 -1.525862 -0.967810
C -3.177019 0.365043 -2.299337
C 2.225608 -2.415135 1.609603
C 3.629926 -0.534984 2.276173
C -3.424546 1.136867 2.678469
C -3.496810 3.001739 1.141581
C -4.016288 2.328297 2.252626
C 4.250298 2.123124 -2.507089
C 3.503077 -0.152508 -2.847146
C -3.668325 -2.164196 -1.196041
C -4.401472 -0.266276 -2.535729
C 3.124350 -3.288354 2.225315
C 4.518222 -1.425377 2.881251
C 4.219249 0.962557 -3.288882
C -4.630550 -1.526730 -1.981745
C 4.272122 -2.801659 2.858045
H 2.745925 1.668708 1.238293
H -0.052805 -0.218314 -1.717835
H -0.819745 1.344659 -1.939029
H -1.877169 -0.324420 2.344175
H -2.006930 3.021990 -0.407127
H 3.596270 3.079154 -0.693003
H 2.272727 -0.996278 -1.293853
H -1.696072 -2.013136 -0.336647
H -2.996203 1.351725 -2.723304
H 1.323861 -2.809170 1.134090
H 3.832078 0.533964 2.313374
H -3.830214 0.601821 3.536380
H -3.959532 3.927000 0.801905
H -4.880517 2.729098 2.778962
H 4.809209 2.993645 -2.848246
H 3.480930 -1.059939 -3.449707
H -3.860180 -3.145504 -0.759939
H -5.161995 0.225806 -3.142454
H 2.924299 -4.360098 2.209846
H 5.408983 -1.040628 3.377695
H 4.753440 0.929323 -4.236940
H 4.968435 -3.489477 3.332559


%chk=000290159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290159

0 1
Br -7.427076 -2.328625 -0.100218
S 0.510088 1.423583 -1.781153
O -0.351173 -1.916119 0.001072
N 1.364723 -0.302815 0.090948
C -0.800722 0.357313 -0.871263
C 1.738989 1.065413 -0.360501
C -1.775323 -0.197034 -1.971587
C 0.078071 -0.751993 -0.237192
C -1.529329 1.155918 0.227273
C 3.158396 1.202385 -0.869123
C -3.124589 -0.721426 -1.489941
C 2.255345 -1.048034 0.949032
C -1.984315 0.499343 1.401430
C -1.831376 2.530157 0.053796
C 3.932435 2.321542 -0.481220
C 3.708647 0.249541 -1.762461
C -3.284186 -2.046767 -1.012352
C -4.267746 0.115541 -1.546933
C 2.384142 -2.453066 0.811486
C 3.009513 -0.364408 1.936473
C -2.714788 1.207570 2.381087
C -2.568774 3.235115 1.030781
C -3.012070 2.577174 2.201044
C 5.245206 2.489393 -0.976620
C 5.021226 0.411698 -2.250359
C -4.547882 -2.527591 -0.602069
C -5.539955 -0.343463 -1.137014
C 3.259829 -3.160835 1.662687
C 3.890447 -1.081008 2.773132
C 5.793403 1.532503 -1.860178
C -5.661509 -1.666615 -0.669425
C 4.019456 -2.482640 2.643015
H 1.528962 1.806352 0.432721
H -1.231771 -0.980376 -2.529822
H -1.963050 0.635083 -2.676779
H -1.780413 -0.566907 1.544352
H -1.468373 3.050394 -0.839375
H 3.508072 3.064055 0.206600
H 3.104790 -0.611336 -2.070012
H -2.408484 -2.697233 -0.935791
H -4.169444 1.144812 -1.911928
H 1.796222 -2.981827 0.059326
H 2.907741 0.718155 2.060508
H -3.056626 0.684887 3.281316
H -2.792055 4.297507 0.879780
H -3.581028 3.124269 2.961034
H 5.837297 3.359224 -0.671865
H 5.443918 -0.330893 -2.936000
H -4.657502 -3.552441 -0.236052
H -6.411940 0.314985 -1.184653
H 3.351311 -4.246998 1.552339
H 4.470430 -0.542831 3.530876
H 6.812706 1.657474 -2.242047
H 4.701540 -3.037396 3.296223


