%chk=000218754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218754

0 1
Br -10.255296 -1.035275 -0.183757
S 7.931107 1.081851 -0.838398
S 8.594819 0.355156 0.968408
O -4.584286 0.758121 0.378792
O 8.754718 -1.251286 0.523703
O 9.916494 0.824886 1.215276
O 7.543752 0.411470 1.926891
N 3.992359 0.081317 -0.572585
N -6.114386 -0.875496 -0.351382
C 0.270174 0.739697 0.085511
C 1.532063 -0.007933 -0.361838
C -0.996016 -0.062952 -0.242643
C 2.796699 0.801692 -0.032489
C -2.256216 0.686361 0.203660
C -3.507019 -0.119216 -0.127750
C 5.269744 0.765266 -0.195880
C 6.361052 0.194329 -1.099130
C -5.861916 0.330376 0.240061
C -6.866870 1.199277 0.737368
C -8.185919 0.789130 0.610056
C -7.415917 -1.253804 -0.463765
C -8.463939 -0.448920 0.003910
H 0.224543 1.731320 -0.406506
H 0.315549 0.943734 1.173254
H 1.494675 -0.205493 -1.453049
H 1.575898 -1.002913 0.121225
H -0.950581 -1.054998 0.248706
H -1.040446 -0.265217 -1.331351
H 2.858844 0.989787 1.061439
H 2.748186 1.797541 -0.527739
H -2.223165 0.895651 1.292540
H -2.312616 1.682305 -0.281618
H 4.004996 -0.881804 -0.216180
H -3.667195 -0.269711 -1.208210
H -3.570956 -1.082680 0.404513
H 5.532758 0.638252 0.882607
H 5.160638 1.860724 -0.366612
H 6.096681 0.333160 -2.172244
H 6.499250 -0.896265 -0.957237
H -6.589659 2.144680 1.196314
H -8.998696 1.421253 0.976724
H -7.594594 -2.226682 -0.942499
H 9.599189 -1.688094 0.726606


%chk=000218754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218754

0 1
Br -10.299351 -1.490547 -0.291609
S 8.039649 1.034343 -1.102306
S 8.824886 0.016542 1.033084
O -4.722694 0.870891 0.390030
O 8.816146 -1.793621 0.554713
O 10.335479 0.456852 1.394175
O 7.642600 0.067961 2.128323
N 4.033231 0.230103 -0.424210
N -6.120057 -0.908497 -0.316232
C 0.261850 0.900126 0.133471
C 1.545787 0.150189 -0.286167
C -1.024877 0.097311 -0.161413
C 2.823833 0.964757 -0.006757
C -2.307296 0.857866 0.249016
C -3.565744 0.043989 -0.053321
C 5.320344 0.933637 -0.319857
C 6.388938 0.135913 -1.083387
C -5.985548 0.327731 0.229507
C -7.086846 1.119078 0.657881
C -8.379124 0.588518 0.507717
C -7.378206 -1.418836 -0.460089
C -8.521443 -0.701707 -0.060607
H 0.214172 1.873328 -0.397570
H 0.306034 1.136446 1.216705
H 1.507941 -0.092925 -1.365826
H 1.597941 -0.816993 0.257473
H -0.981300 -0.874079 0.373588
H -1.064883 -0.143298 -1.244020
H 2.857633 1.242940 1.075526
H 2.792530 1.915223 -0.575683
H -2.278180 1.091423 1.330793
H -2.361428 1.824217 -0.288319
H 4.063728 -0.735544 -0.070783
H -3.676044 -0.174348 -1.132067
H -3.584450 -0.917841 0.492451
H 5.662143 1.091455 0.729594
H 5.206809 1.933019 -0.781739
H 6.105852 -0.017722 -2.142194
H 6.558537 -0.861497 -0.635228
H -6.915019 2.107804 1.089753
H -9.255738 1.160864 0.823798
H -7.457412 -2.416786 -0.902465
H 9.678074 -1.979688 0.078954


