%chk=000271555.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271555

0 1
Br 4.032187 -0.777779 -1.841244
O -3.421746 0.391660 0.586726
O -3.276126 -1.751002 -0.131418
N 1.305697 -1.848557 -0.629608
C 0.606977 0.102611 0.398485
C -0.368035 -0.938240 0.638455
C 1.639053 -0.508996 -0.389791
C 0.070208 -2.102126 -0.000265
C 0.745196 1.470690 0.739035
C -1.614658 -0.835054 1.432936
C 1.889748 2.159979 0.312222
C 2.772795 0.199145 -0.810274
C 2.902019 1.524532 -0.460443
C -0.579644 -3.424479 -0.077358
C -0.302481 2.180492 1.530702
C 2.083400 3.603849 0.656963
C -2.823592 -0.844269 0.528766
C -4.592189 0.637916 -0.256361
C -4.150680 0.876738 -1.684878
H 1.846851 -2.502529 -1.166519
H -1.696543 -1.680556 2.152427
H -1.604964 0.100871 2.051224
H 3.774711 2.098550 -0.771893
H -0.478852 -3.980171 0.867251
H -1.669505 -3.306861 -0.265924
H -0.189367 -4.061984 -0.880585
H -1.202026 1.562468 1.701158
H 0.079707 2.483958 2.515348
H -0.647448 3.088741 1.015097
H 2.069248 3.760024 1.745031
H 3.037341 4.003047 0.289298
H 1.287146 4.226272 0.223895
H -5.279843 -0.220914 -0.160848
H -5.013138 1.537510 0.227663
H -4.979725 1.224497 -2.311157
H -3.349359 1.625756 -1.738422
H -3.755960 -0.045590 -2.137895


%chk=000271555-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271555

0 1
Br 3.968456 -0.612286 -2.096583
O -3.230528 0.536188 0.526440
O -3.532071 -1.753757 0.191979
N 1.229923 -1.844269 -0.637608
C 0.557302 0.082694 0.416578
C -0.385331 -0.993478 0.724422
C 1.557283 -0.506953 -0.439811
C 0.052358 -2.148971 0.059137
C 0.666692 1.464268 0.779715
C -1.643258 -0.951591 1.576513
C 1.768052 2.209727 0.274391
C 2.634908 0.247888 -0.928519
C 2.742969 1.597312 -0.576119
C -0.528315 -3.534087 0.021121
C -0.361869 2.114451 1.690380
C 1.961467 3.682549 0.614924
C -2.891934 -0.806561 0.707193
C -4.373901 0.822686 -0.399495
C -3.892482 0.872059 -1.851677
H 1.769427 -2.492983 -1.208654
H -1.754226 -1.895119 2.138416
H -1.604822 -0.126234 2.300494
H 3.579752 2.193889 -0.951542
H 0.080369 -4.251356 0.606015
H -1.553709 -3.535946 0.421850
H -0.588188 -3.916300 -1.015616
H -1.390535 1.902866 1.348951
H -0.270909 1.738414 2.728984
H -0.238715 3.207681 1.733316
H 2.049333 3.847411 1.705323
H 2.879787 4.074697 0.146334
H 1.117957 4.304265 0.258597
H -5.142839 0.043589 -0.254645
H -4.748534 1.798388 -0.051101
H -4.727295 1.174585 -2.510958
H -3.074302 1.602949 -1.971141
H -3.535870 -0.118467 -2.179805


