%chk=000206236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206236

1 1
Br -2.415059 -5.502305 0.987038
S -0.925239 0.160089 -1.643413
N 3.736310 0.432950 -0.359498
N 1.076388 -0.195110 0.629877
C 2.876558 -0.705131 -0.923828
C 2.849619 1.449359 0.371029
C 1.944624 -1.306747 0.143154
C 1.914406 0.774433 1.392090
C -0.159262 -0.649894 1.351232
C 4.784715 -0.118414 0.580255
C 4.435291 1.131839 -1.507758
C -1.096555 0.534934 1.684465
C -0.928975 -1.634397 0.491150
C -1.087796 1.702942 0.741721
C -1.385300 -1.298731 -0.786451
C -1.245828 -2.894956 1.023063
C -1.068171 1.604573 -0.650660
C -1.150642 2.990443 1.319512
C -2.164088 -2.192627 -1.532863
C -2.005987 -3.788822 0.267009
C -1.122603 2.755730 -1.457786
C -2.474013 -3.448984 -1.007030
C -1.194861 4.133339 0.526524
C -1.180373 4.016696 -0.870509
H 3.528393 -1.488598 -1.365955
H 2.238327 -0.294041 -1.751319
H 2.213697 1.977297 -0.387715
H 3.482734 2.217529 0.864395
H 1.313777 -2.090855 -0.348285
H 2.513857 -1.827283 0.942285
H 2.481813 0.327256 2.235773
H 1.261370 1.566175 1.837826
H 0.113955 -1.147105 2.324524
H 5.428820 0.680772 0.991781
H 4.323635 -0.641855 1.439541
H 5.447701 -0.845070 0.074394
H 3.709223 1.553619 -2.230482
H 5.068640 1.967881 -1.156652
H 5.090180 0.441224 -2.071753
H -0.881738 0.877894 2.719604
H -2.146339 0.151075 1.743344
H -0.908708 -3.172589 2.023765
H -1.187428 3.093745 2.404263
H -2.541297 -1.914671 -2.522414
H -1.141478 2.672649 -2.548106
H -3.082969 -4.150239 -1.584892
H -1.255869 5.119245 0.989098
H -1.233355 4.909934 -1.493544


%chk=000206236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206236

1 1
Br -2.558515 -5.552854 1.098146
S -0.881751 0.144245 -1.771784
N 3.737707 0.449366 -0.351493
N 1.120445 -0.278480 0.746816
C 2.857494 -0.694146 -0.921841
C 2.838933 1.436145 0.436418
C 1.957941 -1.323583 0.150628
C 1.930442 0.720151 1.449026
C -0.171173 -0.687116 1.364815
C 4.837021 -0.111058 0.545400
C 4.386869 1.195736 -1.512704
C -1.064927 0.553819 1.693529
C -0.937766 -1.670961 0.482978
C -1.058861 1.727005 0.714850
C -1.369400 -1.358060 -0.833075
C -1.312096 -2.918766 1.039808
C -1.038569 1.647033 -0.704957
C -1.136580 3.028596 1.289668
C -2.141751 -2.287794 -1.569970
C -2.074512 -3.840600 0.293902
C -1.091984 2.827036 -1.495507
C -2.494034 -3.538029 -1.017247
C -1.188030 4.202910 0.512857
C -1.162517 4.099927 -0.896306
H 3.544080 -1.428377 -1.378119
H 2.215819 -0.238269 -1.694490
H 2.204611 1.943436 -0.309181
H 3.512434 2.164804 0.920212
H 1.319018 -2.058819 -0.366789
H 2.558254 -1.895038 0.902096
H 2.524571 0.291943 2.295761
H 1.282589 1.501970 1.877189
H 0.004389 -1.208297 2.337496
H 5.455227 0.722283 0.913800
H 4.392525 -0.644868 1.395818
H 5.456647 -0.805322 -0.043048
H 3.598378 1.595167 -2.167948
H 4.997085 2.021803 -1.115290
H 5.024169 0.498437 -2.078618
H -0.781310 0.944500 2.688816
H -2.097174 0.172996 1.815505
H -1.002256 -3.166710 2.060520
H -1.175186 3.110250 2.383493
H -2.486253 -2.028835 -2.576117
H -1.106669 2.742127 -2.588232
H -3.095704 -4.246562 -1.592725
H -1.261274 5.181255 0.998104
H -1.218257 4.994798 -1.524409


