%chk=000257235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257235

0 1
Br 0.795617 -1.134784 2.022671
O 0.696846 1.959521 1.354952
O 3.323154 0.365416 0.706745
O 1.296358 -2.187891 -0.767969
O 2.775954 1.798595 -0.983962
N 0.954100 -0.371358 -2.073433
C -1.157969 -0.073592 0.089167
C 0.318515 -0.219017 0.316135
C -2.042477 -1.154477 0.340278
C -1.711809 1.135450 -0.408714
C -3.971046 0.279474 -0.084330
C -3.431788 -0.955760 0.280851
C -3.099542 1.308631 -0.465076
C 1.081753 1.076206 0.644633
C -1.601267 -2.550157 0.633653
C -0.893920 2.271854 -0.940138
C 0.905963 -1.041227 -0.859924
C -5.446688 0.502381 -0.105311
C 2.489577 1.154353 -0.006321
C 4.679917 0.121968 0.187288
C 4.595686 -0.928642 -0.896215
H -4.097328 -1.782613 0.523456
H -3.510912 2.256356 -0.807327
H -0.618812 -2.817084 0.210186
H -1.551375 -2.737526 1.717816
H -2.304298 -3.291750 0.225627
H 0.045377 1.974370 -1.424491
H -1.446778 2.853267 -1.694630
H -0.647312 2.989065 -0.134533
H -5.799540 0.757465 -1.115196
H -6.016752 -0.376651 0.223469
H -5.730941 1.334819 0.556139
H 1.275396 -0.856311 -2.899368
H 0.590229 0.563946 -2.209230
H 5.104615 1.079673 -0.157377
H 5.181139 -0.230513 1.108200
H 5.567862 -1.402114 -1.077822
H 3.887745 -1.730558 -0.620543
H 4.245952 -0.509585 -1.848855


%chk=000257235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257235

0 1
Br 0.756292 -1.713690 1.793499
O 0.842420 1.478136 1.527038
O 3.593366 0.617203 0.722590
O 2.063924 -1.632985 -1.096843
O 2.569456 1.299351 -1.271320
N 0.016341 -1.366488 -2.157585
C -1.237244 -0.170451 0.059345
C 0.252793 -0.496298 0.149262
C -2.247514 -1.179919 0.249445
C -1.655356 1.152529 -0.333804
C -4.037576 0.510117 -0.061295
C -3.613331 -0.811267 0.199558
C -3.038331 1.456620 -0.370533
C 1.182928 0.670981 0.634830
C -1.969652 -2.663105 0.464099
C -0.722892 2.261971 -0.808694
C 0.863644 -1.237125 -1.082021
C -5.506186 0.887268 -0.038482
C 2.525266 0.858139 -0.095685
C 4.959818 0.741002 0.100462
C 5.358790 -0.595364 -0.527427
H -4.366629 -1.591903 0.363937
H -3.335335 2.471352 -0.663830
H -1.072043 -3.022147 -0.063663
H -1.830230 -2.901132 1.533326
H -2.831771 -3.251253 0.102241
H 0.194862 1.897523 -1.302087
H -1.254806 2.892676 -1.542137
H -0.409597 2.912526 0.027104
H -5.724472 1.718900 -0.731050
H -6.150564 0.032669 -0.309975
H -5.808458 1.216740 0.974612
H 0.386574 -1.775325 -3.015458
H -0.944198 -1.024304 -2.122599
H 4.929329 1.556683 -0.642879
H 5.600137 1.020285 0.951669
H 6.374314 -0.511001 -0.957290
H 5.362197 -1.398291 0.228571
H 4.654935 -0.879425 -1.326429


