%chk=000207605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207605

0 1
Br 0.105288 -2.533746 -0.872382
S -4.727768 0.211155 -0.143318
O 1.778130 1.498997 -1.359418
O 1.298395 -1.630469 1.998377
O -5.148264 1.595572 -0.183444
O -5.181196 -0.747101 -1.127505
N 1.201147 -0.082108 0.250191
N -5.245845 -0.391827 1.378736
C 3.544834 0.087060 -0.310468
C 3.347889 -0.907811 0.861347
C 4.444330 1.278282 0.070738
C 2.119354 0.638056 -0.595173
C 4.012398 -0.619409 -1.580418
C 1.867930 -0.988466 1.159653
C 5.886326 0.882259 0.363854
C -0.227910 0.055474 0.167240
C -0.941795 -1.051818 -0.335364
C -0.899327 1.223874 0.540140
C -2.999530 0.147347 -0.039236
C -2.328131 -1.016997 -0.435832
C -2.294566 1.258887 0.430479
H 3.901408 -0.596633 1.770596
H 3.741769 -1.916403 0.622825
H 4.016460 1.803330 0.949241
H 4.424020 2.022395 -0.756118
H 5.005790 -1.065573 -1.448621
H 3.327347 -1.422053 -1.883756
H 4.083066 0.080892 -2.425740
H 5.958041 0.134121 1.161333
H 6.383506 0.467815 -0.521915
H 6.472263 1.754410 0.682334
H -0.346290 2.092056 0.899324
H -2.882361 -1.877583 -0.833241
H -2.832494 2.174345 0.710156
H -5.702890 -1.300342 1.411459
H -5.718025 0.244311 2.017125


%chk=000207605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207605

0 1
Br -0.136075 -2.800192 -1.110636
S -4.835231 0.254605 -0.121503
O 1.780699 1.520254 -1.304709
O 1.342927 -1.876822 1.906346
O -5.208317 1.831644 -0.262834
O -5.346515 -0.893128 -1.157160
N 1.234728 -0.221687 0.209548
N -5.363624 -0.218055 1.570382
C 3.576565 0.111371 -0.267427
C 3.412984 -0.897132 0.905218
C 4.465960 1.339263 0.092739
C 2.136209 0.595738 -0.542307
C 4.064645 -0.593393 -1.566853
C 1.913896 -1.109368 1.105223
C 5.951596 0.999644 0.334362
C -0.191060 -0.123936 0.113188
C -0.972860 -1.188938 -0.406246
C -0.825735 1.073191 0.523295
C -2.955940 0.110243 -0.020176
C -2.377629 -1.086070 -0.465650
C -2.226083 1.207729 0.457869
H 3.835265 -0.513825 1.852138
H 3.891112 -1.872545 0.712178
H 4.049137 1.820539 1.000718
H 4.374819 2.080412 -0.723430
H 5.074510 -1.013550 -1.420671
H 3.388129 -1.421526 -1.847899
H 4.096167 0.123776 -2.405464
H 6.075797 0.225765 1.115094
H 6.445497 0.637394 -0.584342
H 6.497735 1.899548 0.669358
H -0.207127 1.896281 0.891453
H -2.998589 -1.887341 -0.877350
H -2.730332 2.132536 0.751988
H -5.792256 -1.157471 1.543305
H -5.997705 0.517346 1.923453


