%chk=000220955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220955

0 1
Br -0.240105 -4.246717 -0.324912
S 2.737065 -1.671346 -0.008161
S -1.228743 0.150190 -0.097380
O 3.741493 -2.329190 -0.826144
O 2.478116 -2.148518 1.338538
O -0.651303 0.740238 -1.296485
O -0.556732 0.384828 1.171462
C 0.040287 -2.268043 -0.061097
C 1.194835 -1.788278 -0.913576
C -1.290293 -1.599807 -0.375381
C 3.088439 0.019095 0.033832
C -2.890022 0.605104 0.034320
C 2.402190 0.866810 0.907804
C -3.516243 0.603493 1.285227
C 4.099210 0.529981 -0.790217
C -3.596210 1.007526 -1.103903
C 2.717239 2.230135 0.948028
C -4.859181 0.974780 1.394093
C 4.413878 1.889512 -0.751823
C -4.939359 1.379210 -0.997213
C 3.719528 2.739872 0.118550
C -5.570452 1.359510 0.251754
H 0.273317 -2.191120 1.039567
H 1.350604 -2.444519 -1.802561
H 0.959447 -0.819374 -1.421740
H -2.099648 -2.078219 0.219209
H -1.582505 -1.815856 -1.428404
H 1.607479 0.478730 1.563959
H -2.953963 0.324230 2.183713
H 4.649722 -0.140544 -1.460991
H -3.096295 1.045201 -2.078420
H 2.174498 2.888390 1.624972
H -5.348727 0.971447 2.367679
H 5.197394 2.286939 -1.393905
H -5.491190 1.690661 -1.883626
H 3.963696 3.802106 0.148262
H -6.619065 1.650344 0.336172


%chk=000220955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220955

0 1
Br -0.101706 -4.328252 -0.473242
S 2.791300 -1.673826 0.036901
S -1.416090 0.169162 -0.112354
O 3.933244 -2.520277 -0.771883
O 2.340090 -2.082035 1.561069
O -0.846765 0.911357 -1.463008
O -0.681570 0.392231 1.338163
C 0.025626 -2.301679 -0.196558
C 1.134843 -1.709825 -1.052804
C -1.370243 -1.776035 -0.489277
C 3.328739 0.145964 0.036687
C -3.251430 0.594004 0.073615
C 2.553261 1.081503 0.741629
C -3.809786 0.534925 1.360763
C 4.519892 0.447579 -0.641108
C -3.947089 0.999697 -1.076484
C 3.012824 2.419919 0.748301
C -5.174767 0.882935 1.491237
C 4.961520 1.790924 -0.613590
C -5.310958 1.342736 -0.922116
C 4.208872 2.770062 0.077326
C -5.919549 1.277843 0.354107
H 0.288343 -2.218087 0.878313
H 1.435617 -2.303642 -1.927637
H 0.942989 -0.655543 -1.326879
H -2.130091 -2.197945 0.185409
H -1.673539 -1.826089 -1.546271
H 1.627814 0.798432 1.256693
H -3.196060 0.257922 2.224610
H 5.075683 -0.345263 -1.153229
H -3.435518 1.072501 -2.042049
H 2.433075 3.182659 1.278110
H -5.649464 0.852342 2.477185
H 5.888292 2.067722 -1.126849
H -5.890258 1.665926 -1.792957
H 4.556315 3.808932 0.094095
H -6.975054 1.548025 0.465284


