%chk=000229257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229257

0 1
Br 3.278444 3.983497 -0.451015
O -4.858817 -1.312980 0.469448
O 4.685725 -1.680762 0.030051
O -5.506313 0.827021 0.170874
O 2.558459 -2.403513 0.253539
N -1.266005 1.502255 -0.032936
N 1.623305 1.856040 -0.173273
C -0.883626 0.134111 0.100548
C -2.077620 -0.622280 0.230528
C -3.169231 0.290223 0.175469
C -2.631535 1.603914 0.010630
C 0.460652 -0.327673 0.097733
C 1.589486 0.425640 -0.024716
C -2.151844 -2.081679 0.404290
C 2.994456 -0.056052 -0.028684
C -3.344461 2.888181 -0.099702
C 3.816164 1.038190 -0.171262
C -4.592503 0.027240 0.256515
C 2.890806 2.190529 -0.254466
C 3.326115 -1.472909 0.105378
C 5.276516 1.152643 -0.241362
C -6.262719 -1.718431 0.531977
C 5.171829 -3.054406 0.182470
C -6.823574 -1.837782 -0.870224
C 5.195987 -3.427038 1.649539
H -0.590660 2.256718 -0.141968
H 0.588227 -1.425731 0.210469
H -3.133361 -2.481710 0.081803
H -1.375823 -2.621620 -0.156035
H -2.046279 -2.359679 1.466565
H -4.446866 2.727328 -0.071832
H -3.109326 3.573142 0.728990
H -3.129460 3.413024 -1.042423
H 5.606857 1.460362 -1.247922
H 5.662358 1.906459 0.464016
H 5.778816 0.193533 -0.014981
H -6.175316 -2.688845 1.052545
H -6.815894 -0.987490 1.149104
H 4.529881 -3.724558 -0.417226
H 6.178398 -2.966235 -0.264908
H -6.179648 -2.451964 -1.511915
H -6.905404 -0.848622 -1.346449
H -7.823449 -2.285947 -0.866870
H 5.699598 -4.387159 1.812084
H 5.714173 -2.669515 2.251371
H 4.175582 -3.517470 2.052534


%chk=000229257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229257

0 1
Br 3.082319 4.008355 -0.537946
O -5.016598 -1.276937 0.459030
O 4.847110 -1.610172 0.067084
O -5.469083 1.003058 0.204908
O 2.700958 -2.506089 0.216598
N -1.202855 1.295282 -0.025487
N 1.446175 1.676517 -0.189332
C -0.900734 -0.076758 0.122824
C -2.141303 -0.778310 0.263155
C -3.174459 0.215177 0.194307
C -2.548425 1.500271 0.013288
C 0.434332 -0.548705 0.116973
C 1.565405 0.268218 -0.030435
C -2.281215 -2.262780 0.445367
C 2.982009 -0.107811 -0.053378
C -3.160483 2.859632 -0.117736
C 3.724729 1.085978 -0.230023
C -4.630738 0.062049 0.277574
C 2.705772 2.121033 -0.302206
C 3.450109 -1.496314 0.089402
C 5.203272 1.322817 -0.321476
C -6.488307 -1.529581 0.528100
C 5.397985 -2.992164 0.222506
C -7.083113 -1.679568 -0.875479
C 5.530173 -3.361445 1.702914
H -0.402428 1.959126 -0.140599
H 0.618544 -1.621306 0.232226
H -2.888036 -2.704163 -0.364991
H -1.299352 -2.763999 0.464521
H -2.816313 -2.495906 1.382827
H -3.868597 2.888544 -0.964107
H -3.760413 3.105475 0.776097
H -2.386136 3.632173 -0.260923
H 5.427626 2.110617 -1.062823
H 5.605481 1.673650 0.649782
H 5.734510 0.398600 -0.586819
H -6.563261 -2.462098 1.110557
H -6.963506 -0.697140 1.075982
H 4.735753 -3.697480 -0.309044
H 6.377769 -2.936227 -0.278879
H -6.565850 -2.474131 -1.440845
H -7.005237 -0.732362 -1.434504
H -8.153104 -1.949436 -0.800773
H 6.021344 -4.347785 1.798562
H 6.142162 -2.617286 2.241324
H 4.538112 -3.422623 2.180196


