%chk=000249862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249862

0 1
Br -6.796980 -0.338975 0.980667
S -1.664082 0.970063 -0.289200
S 4.449074 -0.297256 0.260648
O -2.277303 0.851589 1.019743
O -1.842914 2.156182 -1.095307
O 5.201775 0.613481 -0.571234
O 4.770602 -0.495932 1.655457
N -2.220581 -0.329389 -1.268205
N 4.575850 -1.840630 -0.482836
C 0.037985 0.629606 -0.130950
C -2.968286 -1.443432 -0.637873
C -4.484954 -1.202717 -0.498573
C 2.751937 0.067652 0.113870
C 0.506235 -0.035595 1.003854
C 0.919918 1.033745 -1.134375
C 1.872390 -0.318489 1.127201
C 2.286787 0.750266 -1.011139
C -4.850627 -0.632014 0.860644
H -2.799768 -2.346653 -1.273148
H -2.518956 -1.677826 0.354172
H -2.612021 -0.075165 -2.186741
H -4.849836 -0.536836 -1.308610
H -5.020375 -2.162524 -0.662400
H -0.184984 -0.323054 1.804596
H 0.555293 1.582035 -2.010119
H 2.245279 -0.827912 2.023358
H 2.983685 1.077932 -1.791401
H -4.582939 -1.308702 1.689212
H -4.360362 0.345866 1.061161
H 5.083309 -1.912802 -1.362601
H 4.809947 -2.640514 0.102029


%chk=000249862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249862

0 1
Br -7.016720 0.704869 -0.686353
S -1.693608 0.447519 0.260639
S 4.778714 -0.095091 0.046583
O -2.167838 0.237740 1.805212
O -2.088499 1.780513 -0.598229
O 5.342973 1.230651 -0.709510
O 5.264872 -0.585234 1.520123
N -2.242877 -1.106841 -0.650283
N 5.040192 -1.506195 -1.096215
C 0.184050 0.273093 0.190129
C -3.443405 -1.753419 -0.049446
C -4.825513 -1.241962 -0.534808
C 2.893780 0.047307 0.097514
C 0.804423 -0.549775 1.144281
C 0.868451 1.010786 -0.788848
C 2.211486 -0.666443 1.096261
C 2.276533 0.892799 -0.837032
C -5.165114 0.167867 -0.034729
H -3.347209 -2.829227 -0.291502
H -3.349062 -1.656766 1.049367
H -2.390599 -0.796827 -1.631431
H -4.867656 -1.268832 -1.641249
H -5.594428 -1.949873 -0.171904
H 0.214712 -1.063154 1.909569
H 0.323265 1.673129 -1.468702
H 2.762150 -1.270098 1.824311
H 2.875347 1.458549 -1.557441
H -5.220812 0.228623 1.062357
H -4.499177 0.953932 -0.424700
H 5.574676 -1.170347 -1.914198
H 5.511991 -2.265293 -0.577869


