%chk=000218889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218889

0 1
Br -9.713608 -0.780565 0.019579
S 8.732519 -0.395913 1.586902
O -3.982661 0.892240 0.244078
N 7.100276 -0.339666 -0.545697
N -5.568779 -0.808174 -0.124491
C 4.636895 -0.287847 -0.348189
C 5.929960 0.530376 -0.192175
C 3.401844 0.582677 -0.087411
C 2.107613 -0.227542 -0.242403
C 8.314077 0.453430 -0.915036
C 0.869604 0.641363 0.016826
C 7.476834 -1.267100 0.532180
C -0.423877 -0.169382 -0.140008
C 9.110463 0.868000 0.328437
C -1.657685 0.702042 0.119693
C -2.935551 -0.113248 -0.039219
C -5.274296 0.489556 0.187217
C -6.248880 1.482198 0.465408
C -7.581611 1.100769 0.415081
C -6.882873 -1.155867 -0.167070
C -7.902524 -0.230599 0.095874
H 4.595668 -0.722632 -1.367399
H 4.645252 -1.153599 0.341533
H 5.907305 1.394151 -0.891665
H 6.001718 0.954986 0.832587
H 3.391220 1.443035 -0.784505
H 3.453338 1.017809 0.929706
H 2.116906 -1.088438 0.453991
H 2.056872 -0.663527 -1.259193
H 0.861435 1.502767 -0.679113
H 0.921026 1.076502 1.033934
H 8.028155 1.332933 -1.527154
H 8.935049 -0.197113 -1.574316
H 6.625265 -1.584607 1.161393
H 7.951573 -2.169321 0.093953
H -0.414189 -1.030458 0.557157
H -0.473687 -0.603632 -1.158121
H 10.197012 0.891588 0.141628
H 8.815085 1.860503 0.708230
H -1.618427 1.143297 1.136627
H -1.677586 1.568853 -0.572149
H -3.096016 -0.496394 -1.060501
H -3.037646 -0.929942 0.694365
H -5.938865 2.495643 0.706282
H -8.372073 1.826886 0.621191
H -7.095329 -2.204037 -0.419639


%chk=000218889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218889

0 1
Br -9.808192 -1.036512 0.013241
S 8.649039 -0.233846 1.835558
O -4.079337 1.019794 0.320245
N 7.214766 -0.439767 -0.536109
N -5.600741 -0.742524 -0.121876
C 4.693252 -0.347339 -0.451646
C 6.019130 0.424209 -0.302375
C 3.464448 0.546184 -0.169454
C 2.121702 -0.200942 -0.331341
C 8.448774 0.306305 -0.880625
C 0.893697 0.681778 -0.015283
C 7.551178 -1.315434 0.558915
C -0.449937 -0.062758 -0.181234
C 9.032524 0.965442 0.416980
C -1.670999 0.826556 0.150106
C -2.985539 0.064691 -0.017223
C -5.376678 0.545301 0.247238
C -6.417679 1.459300 0.570561
C -7.744008 1.000405 0.504469
C -6.891543 -1.182662 -0.184533
C -7.979159 -0.343177 0.120585
H 4.637915 -0.765561 -1.475415
H 4.678509 -1.212021 0.242524
H 6.047582 1.235854 -1.053784
H 6.064932 0.900932 0.705232
H 3.478970 1.422232 -0.851711
H 3.533961 0.953713 0.860825
H 2.114805 -1.089625 0.334067
H 2.040081 -0.588561 -1.368111
H 0.902128 1.573873 -0.675822
H 0.974700 1.063535 1.023706
H 8.233481 1.059276 -1.657946
H 9.188565 -0.409576 -1.283823
H 6.672743 -1.685946 1.103552
H 8.207643 -2.137835 0.240460
H -0.453814 -0.958822 0.473998
H -0.533827 -0.437712 -1.222513
H 10.123155 1.101295 0.345014
H 8.549367 1.932034 0.634599
H -1.596017 1.197752 1.190435
H -1.680343 1.716094 -0.509142
H -3.134220 -0.293979 -1.052897
H -3.054343 -0.807908 0.658881
H -6.174855 2.484431 0.860037
H -8.576426 1.667856 0.744541
H -7.042589 -2.224332 -0.484507


