%chk=000211682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211682

0 1
Br -5.004207 0.825982 0.038378
S 3.318054 -1.468197 1.017117
S 0.696756 -2.597860 1.415606
N 1.027066 -0.055044 0.718233
N 2.969981 0.703757 -0.513085
C 1.874336 1.141059 0.404497
C -0.410018 0.115589 0.556407
C 4.045112 0.018741 0.236547
C 1.566285 -1.270576 0.995936
C 3.491771 1.835258 -1.329611
C -1.092596 -0.582903 -0.447112
C -1.075718 1.014030 1.405692
C -2.473931 -0.393842 -0.613193
C -2.447668 1.209883 1.237059
C -3.130146 0.516186 0.235343
C -3.212226 -1.143237 -1.667058
H 1.240145 1.908993 -0.102958
H 2.233570 1.572385 1.372298
H 4.824495 -0.336630 -0.475706
H 4.545893 0.626645 1.018180
H 2.671389 2.244829 -1.944286
H 4.245768 1.446417 -2.036929
H 3.946710 2.654723 -0.754024
H -0.557171 -1.289483 -1.086002
H -0.542159 1.530849 2.200548
H -2.979216 1.900657 1.895468
H -3.698633 -0.463371 -2.384274
H -2.565819 -1.817930 -2.244824
H -4.009726 -1.766211 -1.227845


%chk=000211682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211682

0 1
Br -4.981432 0.778825 0.108957
S 3.604452 -1.353332 0.767578
S 0.946817 -2.718574 0.970948
N 1.162041 0.006879 0.685053
N 3.125504 1.332417 -0.082964
C 1.937423 1.317495 0.753798
C -0.278473 0.132934 0.570091
C 4.182522 0.529438 0.467893
C 1.766822 -1.235682 0.804650
C 2.885675 1.204505 -1.538099
C -0.958628 -0.428543 -0.534909
C -0.992453 0.883798 1.530512
C -2.354455 -0.269750 -0.710211
C -2.383891 1.070790 1.375893
C -3.040222 0.496840 0.270925
C -3.054874 -0.900960 -1.894614
H 1.232915 2.102111 0.437337
H 2.243724 1.499663 1.801024
H 5.040370 0.452749 -0.215218
H 4.492914 0.893684 1.457863
H 2.125014 1.942734 -1.844071
H 2.536596 0.191889 -1.832283
H 3.820097 1.427364 -2.079803
H -0.394560 -1.017287 -1.264714
H -0.480763 1.297679 2.405589
H -2.947906 1.645318 2.115753
H -3.571228 -0.142074 -2.510881
H -2.338144 -1.442033 -2.533939
H -3.827762 -1.618177 -1.561757


