%chk=000209824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209824

0 1
Br 4.341932 3.472695 0.085866
S -1.307269 0.725279 1.508078
O -1.094922 -1.271576 -2.336228
O -5.535194 -0.016666 -0.534873
O -4.708245 -0.781321 1.403825
O 2.368654 -2.526521 0.211668
O 3.116249 0.990559 0.122218
N -2.274150 -1.011495 -0.249254
N 0.991888 -0.697894 0.084611
C -1.401790 -1.011612 0.967519
C -2.562004 1.390196 0.294917
C -3.196930 0.125402 -0.363922
C -0.211494 -1.502102 0.086896
C -1.152942 -1.259190 -1.151685
C -3.541453 2.222074 1.092371
C -1.805255 2.207017 -0.734882
C -4.495595 -0.297571 0.323795
C 2.248486 -1.315617 0.162476
C 3.401504 -0.391719 0.165846
C 4.759357 -0.601367 0.203744
C 5.383875 0.694745 0.184322
C 4.365712 1.614935 0.135529
H -1.737528 -1.679954 1.782100
H -3.420988 0.318516 -1.455087
H 0.030677 -2.590366 0.226302
H -3.963282 1.679374 1.954892
H -3.073484 3.127949 1.505260
H -4.385565 2.560775 0.473987
H -1.204811 3.003284 -0.270364
H -1.114168 1.604726 -1.340149
H -2.489816 2.707508 -1.435854
H 0.893243 0.321617 0.109322
H -6.421873 -0.291415 -0.176349
H 5.270988 -1.550212 0.240657
H 6.442694 0.884347 0.204345


%chk=000209824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209824

0 1
Br 4.729168 3.406844 0.336459
S -1.315909 0.920866 1.491865
O -1.020426 -0.998135 -2.441984
O -5.676036 -0.007323 -0.189477
O -4.468630 -1.157244 1.432366
O 2.443680 -2.599097 0.100124
O 3.330833 0.951858 0.214989
N -2.190470 -0.891456 -0.304993
N 1.111111 -0.667090 0.080514
C -1.336545 -0.899598 0.905639
C -2.721749 1.451721 0.233572
C -3.280452 0.079490 -0.361915
C -0.131857 -1.384537 0.010004
C -1.101472 -1.088391 -1.207547
C -3.769003 2.273081 1.008983
C -2.084069 2.280106 -0.902483
C -4.491053 -0.447410 0.407117
C 2.332257 -1.333736 0.119242
C 3.519799 -0.462234 0.190378
C 4.877070 -0.743667 0.244031
C 5.583494 0.513730 0.304993
C 4.614526 1.505561 0.285540
H -1.671111 -1.536226 1.733346
H -3.570431 0.244482 -1.413286
H 0.088129 -2.461506 0.114266
H -4.151890 1.725605 1.886592
H -3.321354 3.216156 1.367548
H -4.617373 2.528089 0.346903
H -1.524911 3.136226 -0.487672
H -1.386451 1.678813 -1.510105
H -2.872377 2.675227 -1.572548
H 1.085348 0.356437 0.134613
H -6.458717 -0.337507 0.330967
H 5.305371 -1.743191 0.238351
H 6.658000 0.668458 0.355509


