%chk=000184887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184887

0 1
Br -5.515118 1.692606 -0.473412
S 4.324759 0.859975 -1.711410
O 2.856498 -1.152428 -0.789143
O -4.998334 -1.235098 -0.662152
N 2.758197 -1.091505 0.642762
N -0.241913 1.267546 0.606718
N 2.285132 2.642015 1.183789
C 2.060604 0.185637 1.045618
C 0.609350 0.164028 0.670400
C 2.871471 1.417646 0.540070
C -0.105926 -1.009112 0.404572
C 0.530561 -2.348058 0.367932
C 1.942535 -2.302999 0.990379
C -1.463855 -0.634905 0.150529
C 2.822296 1.567346 -0.982176
C -1.529604 0.802178 0.281628
C 4.197079 -0.908536 -1.203877
C -2.631384 -1.352020 -0.170660
C -2.729548 1.516612 0.099059
C -3.804239 -0.631242 -0.347113
C -3.861530 0.789949 -0.214560
H 2.116558 0.183325 2.176165
H 3.937068 1.265445 0.875690
H -0.091010 -3.097603 0.896193
H 0.599246 -2.688924 -0.689405
H 1.880796 -2.338583 2.100183
H 2.527076 -3.191163 0.663943
H 0.038405 2.227675 0.746553
H 1.925011 1.069814 -1.410625
H 2.777131 2.622860 -1.313919
H 2.689217 3.485601 0.782310
H 2.495927 2.659972 2.179009
H 4.950036 -1.136084 -0.433471
H 4.314820 -1.546392 -2.098790
H -2.596163 -2.430070 -0.274842
H -2.753735 2.600675 0.203318
H -4.899313 -2.216285 -0.748462


%chk=000184887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184887

0 1
Br -5.507998 1.767714 -0.599774
S 4.476640 0.903869 -1.689052
O 2.738286 -1.174786 -0.883842
O -5.045668 -1.253642 -0.704507
N 2.794380 -1.094531 0.644400
N -0.204528 1.238648 0.587059
N 2.152559 2.635360 1.210947
C 2.092964 0.177177 1.066710
C 0.629150 0.123652 0.702069
C 2.856119 1.454843 0.607921
C -0.092226 -1.047300 0.464633
C 0.568502 -2.402951 0.473118
C 2.000467 -2.298328 1.078896
C -1.449995 -0.642726 0.172977
C 2.917464 1.639728 -0.928192
C -1.490238 0.799247 0.259620
C 4.050290 -0.969622 -1.428923
C -2.639291 -1.345200 -0.152421
C -2.677830 1.526392 0.035662
C -3.830227 -0.624745 -0.379283
C -3.838322 0.800336 -0.282199
H 2.199638 0.149930 2.175932
H 3.900110 1.356385 0.977471
H -0.008547 -3.138616 1.068309
H 0.637284 -2.803928 -0.556586
H 1.949305 -2.228428 2.182474
H 2.597935 -3.188307 0.819853
H 0.187803 2.183301 0.715384
H 2.034512 1.213731 -1.428032
H 2.987435 2.711170 -1.188980
H 2.568834 3.523072 0.900522
H 2.137426 2.597927 2.240306
H 4.829150 -1.387699 -0.772190
H 4.038118 -1.435316 -2.426495
H -2.640183 -2.440173 -0.230188
H -2.710029 2.617560 0.100804
H -4.921190 -2.233844 -0.751602


