%chk=000244101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244101

0 1
Br -5.974998 -0.163837 0.062590
S 2.217259 -3.435656 -0.080259
O 2.358453 2.395740 -0.004963
N -0.006593 1.172326 0.014108
N 1.067612 -0.994694 -0.036837
N 3.498610 -1.140590 -0.071555
C -1.375718 0.779883 0.024913
C 1.131126 0.365250 -0.016842
C 2.428525 1.018012 -0.023877
C -2.313694 1.824548 0.213506
C -1.822778 -0.540628 -0.154412
C -3.677032 1.540757 0.223605
C -3.191239 -0.815988 -0.141665
C 3.573313 0.228092 -0.053062
C -4.106157 0.221680 0.046657
C 2.258713 -1.679187 -0.061801
C 3.618320 3.111081 0.046596
C 0.463833 -3.842377 -0.051522
H 0.177150 2.184708 0.061373
H -1.982066 2.851670 0.353879
H -1.112963 -1.359202 -0.305220
H -4.398856 2.346811 0.369981
H -3.535220 -1.843060 -0.280812
H 4.584733 0.646836 -0.062229
H 4.204701 2.911032 -0.855182
H 4.164873 2.855156 0.959088
H 3.277063 4.154685 0.070584
H -0.047713 -3.403651 0.816197
H 0.378326 -4.935567 0.007710
H -0.052183 -3.497030 -0.956548


%chk=000244101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244101

0 1
Br -6.074881 -0.107835 0.083037
S 2.295248 -3.517389 -0.153090
O 2.327715 2.410973 0.059268
N 0.006173 1.114168 0.042098
N 1.096929 -1.036123 -0.047842
N 3.532179 -1.142594 -0.081459
C -1.365723 0.768444 0.048450
C 1.143094 0.324331 0.000264
C 2.411045 1.010784 0.009051
C -2.302420 1.839292 0.093753
C -1.844516 -0.569116 0.013199
C -3.687873 1.587325 0.104088
C -3.232832 -0.821471 0.023569
C 3.574269 0.230344 -0.032694
C -4.143233 0.252822 0.068727
C 2.292498 -1.697072 -0.086797
C 3.590484 3.161413 0.070034
C 0.452266 -3.881494 -0.149704
H 0.221812 2.116081 0.074008
H -1.949026 2.877543 0.121152
H -1.125434 -1.387789 -0.021664
H -4.397486 2.418505 0.138992
H -3.595833 -1.853074 -0.003589
H 4.573245 0.676945 -0.028606
H 4.171698 2.964433 -0.850374
H 4.193713 2.901677 0.960229
H 3.298514 4.220456 0.110357
H -0.004987 -3.504377 0.776414
H 0.372216 -4.978881 -0.199094
H -0.023455 -3.421519 -1.027776


