%chk=000191991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191991

0 1
Br -1.824692 2.664801 0.983422
O 4.200140 -0.423747 -1.241922
O 2.689633 1.737560 -2.093887
O -0.252757 0.808247 -0.985920
O 0.253575 3.302795 0.747038
O 0.295948 -1.161135 1.079245
O 4.869218 -0.256826 2.132481
O -5.176655 0.424615 0.803465
N 2.279286 -1.890289 0.256737
N -3.407002 0.709760 -0.604347
C 3.318053 0.308023 -0.372961
C 2.102384 0.758088 -1.214891
C 2.963186 -0.683376 0.757297
C 0.934506 1.364435 -0.399073
C -1.281581 -3.143559 -0.144883
C 0.251657 -3.230563 -0.197290
C -1.830569 -2.034378 -1.051298
C 0.887677 -2.011385 0.429308
C 0.834828 2.887276 -0.524757
C -3.325103 -1.794554 -0.820612
C 4.251411 -1.081910 1.506914
C -3.810541 -0.463314 -1.422070
C -4.156628 1.038293 0.520910
C -3.677317 2.205628 1.338959
H 3.867160 1.191396 0.035178
H 1.713995 -0.088043 -1.832036
H 2.281713 -0.155841 1.498592
H 0.976366 1.071619 0.683814
H 2.790628 -2.426322 -0.442031
H -1.716406 -4.120671 -0.429005
H -1.599166 -2.956247 0.904638
H 0.587948 -3.364001 -1.245412
H 0.589221 -4.140178 0.345856
H -1.274713 -1.089497 -0.844720
H -1.640362 -2.271865 -2.114022
H 0.151247 3.187607 -1.339899
H 1.823145 3.369189 -0.633209
H -3.916890 -2.625376 -1.249819
H -3.558528 -1.801320 0.266470
H 4.543108 -2.138643 1.439842
H 4.493819 0.165837 -1.979784
H 2.116950 1.865771 -2.881037
H -3.422382 -0.324334 -2.452732
H -4.926816 -0.484928 -1.485692
H -0.700283 0.193821 -0.315158
H -2.528387 1.159511 -0.860225
H 0.287468 4.290902 0.821437
H -4.309420 3.091232 1.146100
H -3.786471 1.974294 2.416287


%chk=000191991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191991

0 1
Br -3.118150 3.328550 1.547408
O 3.414602 -0.891359 -1.694363
O 2.328470 1.522924 -2.419088
O -0.054060 1.277036 0.421530
O 0.161483 4.092015 0.219583
O 0.226183 -0.980789 1.773916
O 5.152000 -0.507949 1.184231
O -4.886170 0.203638 0.216933
N 1.859476 -1.860104 0.389723
N -2.676197 0.520335 -0.467755
C 2.994070 0.093638 -0.686503
C 1.769933 0.874359 -1.207696
C 2.773779 -0.730676 0.594213
C 1.156096 1.870515 -0.175907
C -1.613353 -2.735658 0.150656
C -0.235737 -3.149630 0.736751
C -1.534992 -2.248515 -1.316885
C 0.630600 -1.929314 1.007677
C 0.696059 3.200972 -0.796899
C -2.863907 -1.625472 -1.827380
C 4.125854 -1.216831 1.161058
C -2.897686 -0.074499 -1.796264
C -3.708942 0.638498 0.431564
C -3.348877 1.311384 1.757244
H 3.811629 0.818588 -0.489068
H 0.967288 0.165395 -1.502874
H 2.325505 -0.096850 1.385605
H 1.881649 2.113377 0.629324
H 2.110325 -2.527779 -0.344231
H -2.300882 -3.600780 0.210159
H -2.040774 -1.942632 0.789729
H 0.278273 -3.862775 0.063877
H -0.391738 -3.659495 1.706402
H -0.720345 -1.499780 -1.416907
H -1.244067 -3.104004 -1.959280
H -0.060262 2.997010 -1.591008
H 1.554357 3.728489 -1.241227
H -3.051285 -1.930232 -2.875788
H -3.716008 -2.005443 -1.233025
H 4.103656 -2.252149 1.585199
H 3.535085 -0.394022 -2.544685
H 1.597475 1.876068 -2.984058
H -2.120247 0.326516 -2.475189
H -3.884516 0.263014 -2.163495
H 0.149678 0.536750 1.085929
H -1.733945 0.879304 -0.221076
H -0.598251 3.634766 0.672978
H -4.178901 1.199051 2.465704
H -2.392634 0.962946 2.178552


