%chk=000268872.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268872

0 1
Br -6.641027 3.295084 1.150290
S -2.043044 -0.577085 -1.065926
O -1.040409 -0.709818 0.295081
O -2.583599 -1.892957 -1.268590
O -1.233599 0.047476 -2.088721
N 0.042798 2.044137 0.254745
N 2.415994 -3.854853 1.895409
C 2.534076 2.519679 0.803474
C 0.644592 0.856398 0.964411
C 2.157099 1.081055 1.219540
C 2.281151 2.714122 -0.719357
C 1.624195 3.509812 1.566209
C 0.800382 2.333394 -1.008764
C 0.154438 3.233651 1.170357
C 0.366982 -0.435871 0.148823
C 3.223321 1.900752 -1.562624
C 1.074687 -1.642807 0.733006
C 3.704192 2.317244 -2.732121
C 2.202413 -2.222601 0.057753
C 0.646317 -2.190527 1.919623
C 2.853631 -3.324423 0.684786
C 2.696968 -1.769041 -1.204683
C 1.348620 -3.310409 2.470243
C -3.274096 0.471576 -0.477652
C 3.997709 -3.927947 0.063905
C 3.788750 -2.364786 -1.783487
C 4.450840 -3.452203 -1.138786
C -3.080552 1.855927 -0.480556
C -4.469134 -0.075558 0.006989
C -4.084029 2.704496 0.002831
C -5.477309 0.760993 0.492540
C -5.267331 2.143212 0.484154
H 3.601047 2.716305 1.038530
H 0.103896 0.751032 1.941402
H 2.391420 0.913602 2.284842
H 2.781118 0.356869 0.663342
H 2.421190 3.797737 -0.954541
H 1.764096 3.393552 2.654529
H 1.903634 4.551108 1.334030
H 0.719045 1.445937 -1.679170
H 0.286616 3.156037 -1.543694
H -0.287760 4.109730 0.655565
H -0.470417 3.043769 2.066153
H 0.624567 -0.289171 -0.934723
H 3.489157 0.923320 -1.152260
H 3.468199 3.273017 -3.176943
H 4.373709 1.726280 -3.340406
H -0.230199 -1.795860 2.433593
H 2.175819 -0.950810 -1.709207
H 1.008981 -3.753865 3.415310
H 4.477110 -4.765315 0.574389
H 4.163635 -2.023600 -2.747937
H 5.317174 -3.899505 -1.625668
H -2.140986 2.284868 -0.857295
H -4.620669 -1.163158 0.001604
H -3.933173 3.784820 -0.000017
H -6.409035 0.335879 0.869367


%chk=000268872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268872

0 1
Br -6.900278 3.330901 0.572141
S -2.048975 -0.850726 -0.946773
O -1.016279 -0.650772 0.639187
O -2.671763 -2.336636 -1.072707
O -1.115618 -0.272603 -2.151234
N 0.130115 2.089439 0.394844
N 2.678101 -3.773020 2.147572
C 2.648292 2.645380 0.708394
C 0.826427 0.916499 1.028662
C 2.381083 1.147236 1.017929
C 2.228432 2.967142 -0.766094
C 1.788047 3.524223 1.657241
C 0.745294 2.443916 -0.925767
C 0.275287 3.259294 1.324975
C 0.424186 -0.433378 0.372021
C 3.152404 2.372685 -1.804411
C 1.207885 -1.612958 0.932929
C 3.856510 3.083582 -2.720512
C 2.146562 -2.373801 0.143222
C 1.023993 -1.973802 2.273480
C 2.869300 -3.446102 0.809386
C 2.404649 -2.147043 -1.251356
C 1.769807 -3.053618 2.834301
C -3.422161 0.338839 -0.483066
C 3.824802 -4.219898 0.075793
C 3.336823 -2.924390 -1.942888
C 4.059313 -3.963565 -1.275727
C -3.064260 1.631395 -0.066519
C -4.741766 -0.129016 -0.587498
C -4.115215 2.521793 0.251062
C -5.783554 0.772049 -0.270528
C -5.453907 2.083084 0.138483
H 3.721218 2.870030 0.843854
H 0.468716 0.882888 2.075800
H 2.813601 0.869975 1.995672
H 2.878970 0.509826 0.264300
H 2.244664 4.069454 -0.884214
H 2.012003 3.265483 2.709566
H 2.040334 4.592478 1.521257
H 0.697466 1.561371 -1.586115
H 0.114409 3.217909 -1.398216
H -0.181523 4.135551 0.829294
H -0.306849 3.050420 2.240856
H 0.559812 -0.345363 -0.723172
H 3.238069 1.273445 -1.811613
H 3.803488 4.179209 -2.762834
H 4.504496 2.593732 -3.455847
H 0.294561 -1.443215 2.893292
H 1.848048 -1.379295 -1.798902
H 1.622889 -3.336235 3.883599
H 4.347936 -5.013413 0.618035
H 3.509688 -2.744214 -3.009498
H 4.788002 -4.562247 -1.832841
H -2.000675 1.912277 0.046764
H -4.952670 -1.157139 -0.897432
H -3.890097 3.537801 0.586730
H -6.826892 0.453842 -0.341179


