%chk=000211740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211740

0 1
Br -6.164246 0.939131 0.761128
S 1.902949 -1.646234 -0.894661
S -0.727532 -3.003638 -0.506593
O 0.368989 1.873636 -0.480768
N -0.288882 -0.348969 -0.429209
C 2.072573 0.169607 -0.844996
C 3.064859 0.589200 0.234104
C 4.509610 0.240393 -0.144446
C 0.684272 0.716930 -0.569333
C 5.495187 0.748819 0.918216
C 0.156306 -1.661184 -0.581002
C -1.685138 -0.049205 -0.143026
C 6.936944 0.404687 0.554226
C -2.404231 0.760340 -1.036307
C -2.280256 -0.561613 1.020708
C -3.741746 1.056520 -0.761612
C -3.619872 -0.266652 1.285051
C -4.334090 0.537610 0.392543
H 2.411697 0.528716 -1.851776
H 2.975920 1.688291 0.396498
H 2.806019 0.126176 1.209515
H 4.766222 0.678027 -1.128969
H 4.625647 -0.855731 -0.260651
H 5.392015 1.845638 1.037560
H 5.245343 0.311719 1.905476
H 7.234130 0.854390 -0.400186
H 7.086753 -0.677887 0.467409
H 7.634725 0.769403 1.317363
H -1.926194 1.164596 -1.929133
H -1.713154 -1.188406 1.710657
H -4.310178 1.687116 -1.448294
H -4.096040 -0.665225 2.183308


%chk=000211740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211740

0 1
Br -6.219180 1.010085 0.826904
S 1.931884 -1.736353 -0.977974
S -0.786002 -3.115241 -0.592500
O 0.364865 1.882473 -0.468742
N -0.305793 -0.386404 -0.453448
C 2.063788 0.158578 -0.864025
C 3.070535 0.623379 0.211211
C 4.531291 0.262378 -0.132482
C 0.648560 0.667820 -0.585513
C 5.527772 0.751753 0.943127
C 0.140183 -1.714750 -0.639237
C -1.691478 -0.071784 -0.156497
C 6.993210 0.415828 0.592968
C -2.423760 0.740982 -1.047711
C -2.284475 -0.560422 1.027837
C -3.766170 1.067144 -0.757976
C -3.627090 -0.242712 1.322234
C -4.351951 0.567349 0.423112
H 2.377651 0.522844 -1.859228
H 2.966346 1.723150 0.300631
H 2.788954 0.186815 1.188811
H 4.800505 0.709357 -1.112342
H 4.630685 -0.836888 -0.247084
H 5.418364 1.847753 1.071277
H 5.265201 0.295213 1.918733
H 7.292418 0.889609 -0.360793
H 7.136158 -0.675790 0.485391
H 7.685443 0.771006 1.377672
H -1.954183 1.124099 -1.957970
H -1.709385 -1.188143 1.713801
H -4.340359 1.696875 -1.442584
H -4.095384 -0.619802 2.235197


