%chk=000280334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280334

0 1
Br 1.185948 -3.330819 0.239327
S 4.080228 -1.179384 0.531285
O -2.579780 0.956576 -0.688777
O -3.851893 1.469421 2.190839
O -3.821837 -1.732070 0.883601
O -5.784157 -0.097377 -1.989867
N -0.803188 0.209354 0.661221
N 0.847748 2.042423 0.887478
N 3.161272 1.295527 0.810161
C -2.043308 1.011947 0.636828
C -3.108123 0.406579 1.599947
C -4.101081 -0.341760 0.678200
C -3.707445 0.039089 -0.768830
C -4.793052 0.820924 -1.522932
C 0.498496 0.726622 0.711856
C -0.703163 -1.194287 0.475894
C 1.437800 -0.373246 0.589479
C 0.631276 -1.555331 0.442459
C 2.797504 0.003419 0.645796
C 2.182477 2.260544 0.923993
C 5.638409 -0.240056 0.484642
C 5.971606 0.009486 -0.945330
C 5.770071 1.181327 -1.546737
H -1.810456 2.094143 0.810475
H -2.681879 -0.262430 2.378925
H -5.158080 -0.110803 0.929644
H -3.353323 -0.847566 -1.338097
H -4.356433 1.399872 -2.357219
H -5.358761 1.510240 -0.865508
H -1.590776 -1.814025 0.398328
H -3.417873 1.775889 3.018161
H -4.614520 -2.274898 0.680329
H -5.475487 -0.556838 -2.798583
H 2.529573 3.297634 1.058271
H 5.557293 0.699076 1.075611
H 6.398433 -0.867819 0.992191
H 6.389485 -0.846119 -1.480920
H 6.002887 1.361528 -2.585928
H 5.343411 2.042311 -1.047513


%chk=000280334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280334

0 1
Br 1.409929 -3.538779 0.476969
S 4.208410 -1.278795 0.747583
O -2.575295 0.612316 -0.957628
O -3.856659 1.573490 1.818762
O -3.662209 -1.884418 0.779239
O -6.314494 0.418337 -1.347381
N -0.753964 -0.007806 0.505979
N 0.785126 1.889745 0.666988
N 3.138854 1.259198 0.761871
C -1.985764 0.777602 0.380537
C -3.097377 0.390214 1.401982
C -4.087637 -0.484887 0.604677
C -3.931188 0.004963 -0.854401
C -4.989640 1.056127 -1.245412
C 0.518660 0.558476 0.589519
C -0.617382 -1.407809 0.450899
C 1.493888 -0.504298 0.596401
C 0.735387 -1.728975 0.507387
C 2.850170 -0.068653 0.690982
C 2.113059 2.167604 0.747086
C 5.728656 -0.109177 0.634107
C 6.123599 0.141777 -0.794417
C 6.026847 1.352262 -1.402002
H -1.670936 1.830912 0.491241
H -2.687182 -0.162543 2.267091
H -5.116796 -0.331652 0.974872
H -3.954655 -0.846247 -1.562894
H -4.690235 1.548959 -2.190481
H -5.087759 1.815374 -0.454122
H -1.499379 -2.043425 0.392454
H -3.282397 2.160396 2.372526
H -4.381878 -2.484578 0.463508
H -6.380458 -0.061904 -2.210751
H 2.396125 3.221757 0.808584
H 5.437979 0.814569 1.156552
H 6.499631 -0.656496 1.202220
H 6.509164 -0.721974 -1.354937
H 6.334455 1.494778 -2.444138
H 5.622645 2.222661 -0.872751


