%chk=000218737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218737

0 1
Br 8.441170 0.342444 -0.894690
S -5.921564 1.273931 0.703308
S -6.633381 0.307177 -0.968365
O 2.689069 -0.649172 0.380609
O -6.888849 -1.193262 -0.271119
O -7.923749 0.810592 -1.298360
O -5.580823 0.144889 -1.913137
N -2.054295 0.001054 0.621466
N 4.320586 0.722507 -0.619759
C -0.821751 0.538624 -0.033977
C 0.388549 -0.269508 0.455609
C -3.288570 0.695333 0.135224
C 1.684199 0.336125 -0.069507
C -4.408505 0.345102 1.112694
C 3.987891 -0.402426 0.080533
C 4.924662 -1.366247 0.532873
C 6.262127 -1.142255 0.239901
C 5.638468 0.918330 -0.893721
C 6.623176 0.010454 -0.480134
H -0.713885 1.605708 0.267710
H -0.873572 0.520682 -1.145024
H 0.403669 -0.301094 1.566922
H 0.315780 -1.330459 0.139529
H -3.109979 1.795117 0.130186
H -3.564735 0.414949 -0.910867
H -2.133699 -1.006059 0.434958
H 1.933247 1.312392 0.379383
H 1.735338 0.398020 -1.169630
H -4.131534 0.637902 2.151212
H -4.614461 -0.743660 1.147398
H 4.584664 -2.237913 1.086128
H 7.025387 -1.853800 0.565395
H 5.882551 1.829429 -1.457686
H -7.757582 -1.607609 -0.408861


%chk=000218737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218737

0 1
Br 8.547879 0.411454 -1.014989
S -5.997357 1.376572 0.941478
S -6.781342 0.215019 -1.112715
O 2.736342 -0.749658 0.403600
O -6.979908 -1.522220 -0.450691
O -8.220610 0.761872 -1.596710
O -5.551072 0.034969 -2.138107
N -2.078833 0.091725 0.531636
N 4.352202 0.639716 -0.632868
C -0.791265 0.632025 0.057056
C 0.369947 -0.302787 0.452485
C -3.273979 0.920832 0.305934
C 1.714000 0.231055 -0.046513
C -4.444203 0.330431 1.107413
C 4.055510 -0.478891 0.075838
C 5.033007 -1.412485 0.515380
C 6.377418 -1.157724 0.195864
C 5.660184 0.882163 -0.941085
C 6.690694 0.009273 -0.544266
H -0.649614 1.628256 0.521204
H -0.787088 0.792012 -1.049496
H 0.394901 -0.410868 1.551507
H 0.204900 -1.312058 0.026149
H -3.059025 1.945013 0.666182
H -3.567230 1.000953 -0.766662
H -2.217412 -0.896047 0.278563
H 1.956365 1.223293 0.377893
H 1.754360 0.312846 -1.148808
H -4.217201 0.282474 2.189413
H -4.697658 -0.694140 0.774999
H 4.731506 -2.295361 1.083830
H 7.164430 -1.847391 0.513246
H 5.871314 1.790618 -1.513643
H -7.881563 -1.575643 -0.016917


