%chk=000188517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188517

0 1
Br 3.754363 3.115263 -1.540454
S -0.943495 0.707509 0.091550
O 1.384394 2.271876 2.837095
O 1.135359 -1.701190 1.375901
O -2.897088 -1.987307 -1.279457
O 4.770393 -0.197191 0.439856
O 4.649491 -2.397791 0.048518
O -5.309237 0.996534 0.874264
O -6.422326 0.950199 -1.070769
N -0.583002 -2.361739 0.004410
N -4.118010 -1.343350 0.542190
N 3.588811 0.001004 -2.153611
C -1.679539 -1.784023 0.818284
C -0.153298 2.094662 0.990572
C -1.344310 -0.434219 1.445651
C 1.211247 1.645681 1.559322
C 1.717248 -2.967635 -0.593902
C 2.285770 -2.023576 -1.653784
C -0.105144 3.161550 -0.051303
C 0.767155 -2.264644 0.354538
C -2.921858 -1.683133 -0.099602
C 3.041996 -0.827758 -1.040136
C 2.390374 1.961568 0.671608
C 1.025748 3.474845 -0.706405
C 2.269370 2.787603 -0.373543
C 4.205819 -1.301301 -0.174537
C -5.319201 -1.092433 -0.271601
C -5.752399 0.359031 -0.264413
H -1.902741 -2.518432 1.649634
H -0.799415 2.407566 1.850169
H -0.461707 -0.544585 2.129268
H -2.171107 -0.040457 2.060900
H 1.208981 0.551421 1.835979
H -0.851338 -2.630981 -0.953791
H 1.248204 -3.844959 -1.082722
H 2.554564 -3.398700 0.013277
H 1.480414 -1.641522 -2.313388
H 2.973448 -2.589470 -2.321485
H -1.051113 3.664556 -0.264116
H 2.338515 -0.260248 -0.363988
H 3.329890 1.471376 0.957210
H 1.053242 4.242945 -1.481683
H -4.123679 -0.909912 1.466410
H 1.629184 3.216317 2.740885
H 2.871029 0.619956 -2.520396
H 4.377337 0.563258 -1.838792
H -6.164058 -1.722259 0.107972
H -5.142417 -1.415835 -1.338353
H 5.533631 -0.432744 1.031158
H -5.572897 1.956675 0.902907


%chk=000188517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188517

0 1
Br 4.112361 3.684923 -1.444534
S -0.663440 0.965204 -0.228510
O 1.613043 2.647759 2.804538
O 0.897118 -2.122508 1.817637
O -2.748012 -2.051911 -1.471880
O 4.863553 -0.325081 0.371674
O 4.775331 -2.611787 0.001812
O -6.085791 0.150357 1.262300
O -7.505629 -0.091042 -0.567931
N -0.572588 -2.254673 0.027035
N -4.037219 -1.042208 0.164960
N 3.378134 -0.298313 -2.069127
C -1.667649 -1.550934 0.692512
C 0.084134 2.377336 0.867286
C -1.297635 -0.126641 1.185563
C 1.438824 1.959183 1.493195
C 1.656995 -3.255230 -0.241676
C 2.242553 -2.390418 -1.391021
C 0.147021 3.596890 -0.008559
C 0.644041 -2.506425 0.627385
C -2.859470 -1.566470 -0.301260
C 2.978572 -1.124971 -0.906058
C 2.638707 2.234311 0.603334
C 1.323213 3.984458 -0.592741
C 2.548174 3.217892 -0.335649
C 4.263420 -1.486295 -0.154588
C -5.214721 -0.968579 -0.702180
C -6.392549 -0.274222 -0.042616
H -1.962263 -2.110913 1.607291
H -0.642152 2.507547 1.689659
H -0.496572 -0.230613 1.934344
H -2.175041 0.365241 1.642900
H 1.408450 0.894000 1.775590
H -0.778677 -2.548032 -0.936990
H 1.180114 -4.151740 -0.682065
H 2.472181 -3.595995 0.416155
H 1.431688 -2.067476 -2.074265
H 2.947032 -3.002835 -1.981087
H -0.780578 4.144844 -0.204283
H 2.319452 -0.581727 -0.187138
H 3.554242 1.662610 0.780889
H 1.367384 4.852186 -1.257592
H -4.120717 -0.645442 1.103550
H 1.929912 3.573175 2.634297
H 2.593674 -0.108605 -2.702154
H 3.875697 0.561634 -1.811637
H -5.542700 -1.978839 -1.015147
H -4.976240 -0.432593 -1.641269
H 5.714714 -0.572726 0.825207
H -6.873494 0.599695 1.670141


