%chk=000218891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218891

0 1
Br 10.946354 -0.814365 0.017994
S -10.012819 -0.397534 -1.644812
O 5.225281 0.884879 -0.254078
N -8.404913 -0.346342 0.506503
N 6.800403 -0.822498 0.129196
C -4.697675 0.560804 0.087835
C -5.939038 -0.305190 0.333435
C -3.408319 -0.255174 0.253110
C -7.226964 0.518942 0.166767
C -2.163576 0.608350 0.008075
C -0.874640 -0.207694 0.175247
C -9.619784 0.451746 0.861187
C 0.369890 0.655956 -0.070172
C -8.772290 -1.272720 -0.575362
C 1.658285 -0.160714 0.097478
C -10.399775 0.869043 -0.391765
C 2.898404 0.705877 -0.148116
C 4.171045 -0.115205 0.022153
C 6.514419 0.476209 -0.186421
C 7.495881 1.463948 -0.458052
C 8.826349 1.076398 -0.396677
C 8.112488 -1.176231 0.182636
C 9.138490 -0.256069 -0.073328
H -4.736894 0.999319 -0.928305
H -4.690135 1.418853 0.787702
H -5.943792 -1.168757 -0.359021
H -5.909727 -0.743166 1.351646
H -3.414131 -1.114233 -0.445419
H -3.368718 -0.693905 1.269095
H -7.207442 1.380776 0.868738
H -7.286631 0.946401 -0.857567
H -2.203142 1.045836 -1.008286
H -2.158269 1.467774 0.706086
H -0.835891 -0.645149 1.191720
H -0.880845 -1.067396 -0.522566
H -10.251145 -0.195927 1.513334
H -9.337488 1.330390 1.476219
H 0.330031 1.093355 -1.086794
H 0.374829 1.515980 0.627475
H -9.255292 -2.173123 -0.142540
H -7.914567 -1.593293 -1.194649
H 1.651579 -1.020114 -0.601745
H 1.696146 -0.597431 1.115001
H -11.488290 0.897594 -0.217689
H -10.095428 1.859893 -0.768724
H 2.871232 1.149072 -1.164606
H 2.914829 1.571374 0.545411
H 4.275155 -0.933388 -0.709474
H 4.321501 -0.497668 1.045192
H 7.192477 2.478521 -0.702569
H 9.621813 1.798550 -0.597358
H 8.318035 -2.225051 0.438160


%chk=000218891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218891

0 1
Br 11.047675 -1.141571 0.016110
S -9.953172 -0.238924 -1.899863
O 5.357303 1.014893 -0.320851
N -8.540423 -0.451269 0.484310
N 6.844222 -0.780387 0.105501
C -4.778356 0.507663 0.165802
C -6.018104 -0.376407 0.429380
C -3.444032 -0.249760 0.348357
C -7.336474 0.404172 0.261966
C -2.202746 0.621896 0.053443
C -0.867449 -0.132384 0.241791
C -9.772927 0.301982 0.817507
C 0.373108 0.734973 -0.067952
C -8.871629 -1.325688 -0.613108
C 1.706567 -0.022868 0.118698
C -10.341366 0.963617 -0.485767
C 2.942909 0.852604 -0.192288
C 4.244346 0.071024 -0.014631
C 6.645710 0.518225 -0.240128
C 7.705672 1.421103 -0.531743
C 9.023419 0.939109 -0.458530
C 8.126698 -1.243053 0.174921
C 9.231634 -0.415743 -0.099479
H -4.828853 0.915783 -0.865412
H -4.796404 1.383869 0.847856
H -5.999719 -1.240989 -0.264904
H -5.980599 -0.795511 1.453624
H -3.433445 -1.138137 -0.317515
H -3.382279 -0.639033 1.385964
H -7.368072 1.218252 1.010618
H -7.367667 0.878314 -0.747419
H -2.263581 1.004622 -0.986902
H -2.215697 1.514545 0.713644
H -0.802277 -0.507245 1.284723
H -0.859091 -1.030027 -0.411637
H -10.520425 -0.409230 1.214714
H -9.559960 1.054304 1.596093
H 0.307696 1.109625 -1.110662
H 0.366696 1.632132 0.585729
H -9.535212 -2.144589 -0.300441
H -7.990206 -1.700706 -1.149806
H 1.710991 -0.919062 -0.536440
H 1.769921 -0.398848 1.161129
H -11.431731 1.106478 -0.423123
H -9.850362 1.927116 -0.699684
H 2.885252 1.232125 -1.230730
H 2.956312 1.737130 0.473584
H 4.312326 -0.793324 -0.701275
H 4.371252 -0.303657 1.018304
H 7.483344 2.455785 -0.803223
H 9.869581 1.597495 -0.674372
H 8.256921 -2.292921 0.455415


