%chk=000245886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245886

0 1
Br -4.946684 1.012538 1.926670
O -4.600059 0.523211 -1.551904
O 6.551858 1.064290 -0.207270
O 6.469094 -0.812086 0.865653
N 5.946874 0.124679 0.282970
C -4.875754 -0.503488 0.604587
C -2.563730 0.096350 -0.410961
C -4.055446 0.092558 -0.566152
C 0.221950 0.106580 -0.185453
C -4.194265 -1.681869 1.266633
C -6.291890 -0.815850 0.167282
C 1.697739 0.111106 -0.064441
C -1.921073 1.172038 0.211860
C -1.817989 -0.968688 -0.934176
C -0.528211 1.176348 0.325110
C -0.427274 -0.966746 -0.816896
C 2.443640 1.167000 -0.616459
C 2.351092 -0.940326 0.601860
C 3.832935 1.175148 -0.507066
C 3.739635 -0.939138 0.719521
C 4.473134 0.120277 0.162369
H -4.088301 -2.526031 0.571032
H -4.769518 -2.050353 2.129504
H -3.189084 -1.437578 1.642042
H -6.755297 0.037130 -0.357769
H -6.944651 -1.071982 1.012181
H -6.316828 -1.661125 -0.535302
H -2.500302 2.011036 0.604097
H -2.319744 -1.794156 -1.439504
H -0.026606 2.011528 0.814998
H 0.155413 -1.791971 -1.226449
H 1.933700 1.978434 -1.138831
H 1.769142 -1.755347 1.034373
H 4.428426 1.989795 -0.934923
H 4.263375 -1.749811 1.238712


%chk=000245886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245886

0 1
Br -5.147582 1.822862 0.411420
O -4.392314 -1.320257 -1.603023
O 6.570612 1.567869 0.444191
O 6.819110 -0.655418 -0.007148
N 6.093304 0.397647 0.175915
C -5.047021 -0.271407 0.479071
C -2.509495 -0.452318 -0.403045
C -3.986577 -0.685984 -0.585116
C 0.341021 -0.167349 -0.219383
C -4.682078 -0.685771 1.915210
C -6.448246 -0.754811 0.083884
C 1.818231 -0.020958 -0.118917
C -1.928925 0.503556 0.475284
C -1.638450 -1.253477 -1.195119
C -0.531358 0.643790 0.558152
C -0.244463 -1.120388 -1.100764
C 2.410682 1.243641 0.164426
C 2.676926 -1.142845 -0.305108
C 3.805215 1.390398 0.261212
C 4.073600 -1.016065 -0.210549
C 4.621960 0.253913 0.072889
H -4.638401 -1.792057 1.962261
H -5.462897 -0.343810 2.615026
H -3.710921 -0.294036 2.250712
H -6.712411 -0.435767 -0.935150
H -7.195835 -0.368193 0.796000
H -6.470865 -1.860738 0.103582
H -2.563660 1.169047 1.065946
H -2.087359 -1.970992 -1.889170
H -0.112881 1.375520 1.257438
H 0.396878 -1.734061 -1.742313
H 1.774289 2.127127 0.276559
H 2.244589 -2.130756 -0.493128
H 4.270157 2.357698 0.468236
H 4.740465 -1.872107 -0.341585


