%chk=000258481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258481

0 1
Br 6.174617 -1.987711 -0.449436
S 0.799887 1.377418 0.409115
O -0.304396 0.111266 0.022064
O 0.571734 1.677485 1.790241
O 0.625706 2.375794 -0.609238
N -5.359311 -2.619933 0.903983
C 2.242413 0.478551 0.179659
C 2.851060 0.447487 -1.081226
C 2.803384 -0.224006 1.253444
C -1.656010 0.328550 -0.062667
C 4.025149 -0.285797 -1.273851
C 3.977214 -0.960466 1.071308
C -2.451258 -0.762147 0.326741
C -2.210620 1.516531 -0.559647
C 4.573080 -0.982872 -0.193033
C -3.840610 -0.636468 0.209587
C -3.600393 1.612535 -0.655854
C -4.422209 0.546980 -0.275380
C -4.681943 -1.735708 0.595013
H 2.414582 1.002068 -1.921710
H 2.329454 -0.195748 2.243124
H 4.500782 -0.310125 -2.256978
H 4.415562 -1.508411 1.908621
H -1.983556 -1.671115 0.702416
H -1.576350 2.349378 -0.881920
H -4.049155 2.531906 -1.037105
H -5.505313 0.632255 -0.354870


%chk=000258481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258481

0 1
Br 6.485423 -1.713246 -0.619600
S 0.722381 1.193111 0.653554
O -0.380646 0.011811 -0.541258
O 0.284204 0.905818 2.189673
O 0.715698 2.698840 0.048300
N -5.367397 -1.823106 2.184656
C 2.355093 0.362478 0.284144
C 3.121829 0.857185 -0.783252
C 2.743046 -0.715454 1.096264
C -1.752563 0.216195 -0.452536
C 4.361236 0.234102 -1.049308
C 3.983535 -1.333311 0.824395
C -2.511495 -0.545602 0.473168
C -2.387420 1.149861 -1.318029
C 4.771836 -0.853275 -0.245761
C -3.920392 -0.394645 0.505989
C -3.789095 1.293948 -1.273972
C -4.559585 0.528721 -0.370972
C -4.709382 -1.174842 1.425465
H 2.776280 1.708413 -1.377540
H 2.111663 -1.053311 1.923623
H 4.990982 0.590956 -1.868344
H 4.324918 -2.173200 1.434942
H -2.001610 -1.243593 1.143046
H -1.771719 1.734864 -2.008010
H -4.285675 2.005166 -1.941376
H -5.647642 0.639814 -0.334862


