%chk=000218873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218873

0 1
Br -8.497532 0.705139 0.134281
S 7.434248 0.634506 -1.501336
O -2.752731 -0.869355 -0.325144
N 5.783801 0.242676 0.581043
N -4.353711 0.738532 0.302971
C 4.622990 -0.568587 0.085427
C 3.322958 0.204919 0.364272
C 2.096163 -0.621826 -0.038620
C 6.999574 -0.591283 0.836476
C 6.164263 1.327050 -0.337424
C 0.795645 0.143767 0.240174
C 7.810378 -0.805075 -0.447670
C -0.430082 -0.684153 -0.161091
C -1.715123 0.085315 0.121237
C -4.047918 -0.490166 -0.211382
C -5.013393 -1.432175 -0.650497
C -6.349293 -1.073152 -0.546701
C -5.670663 1.065649 0.393824
C -6.681938 0.187393 -0.019646
H 4.702625 -0.822056 -0.993970
H 4.604255 -1.534113 0.636239
H 3.275347 0.470524 1.439927
H 3.327629 1.170152 -0.177734
H 2.090619 -1.583725 0.510519
H 2.154070 -0.887063 -1.112571
H 7.609686 -0.046513 1.594457
H 6.714170 -1.556050 1.303146
H 6.629395 2.153099 0.239524
H 5.316605 1.734055 -0.918399
H 0.739414 0.409110 1.314652
H 0.800349 1.105615 -0.309863
H 8.895384 -0.850289 -0.255545
H 7.526422 -1.729436 -0.978247
H -0.384657 -0.956206 -1.235542
H -0.445258 -1.650847 0.382708
H -1.882125 0.297648 1.190200
H -1.821344 1.008851 -0.471582
H -4.694513 -2.391585 -1.049305
H -7.133200 -1.762324 -0.870926
H -5.892310 2.058178 0.810215


%chk=000218873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218873

0 1
Br -8.574422 0.956409 0.156638
S 7.371714 0.694380 -1.655138
O -2.827991 -1.002547 -0.373921
N 5.863165 0.284461 0.642299
N -4.363855 0.694097 0.242941
C 4.695061 -0.516205 0.170954
C 3.353163 0.200007 0.421868
C 2.141839 -0.659827 -0.003881
C 7.105036 -0.501420 0.838576
C 6.209509 1.407023 -0.192796
C 0.791836 0.056776 0.223515
C 7.753698 -0.805774 -0.556865
C -0.421941 -0.810646 -0.183582
C -1.741507 -0.074164 0.048121
C -4.129664 -0.549661 -0.249737
C -5.163199 -1.438615 -0.655471
C -6.493460 -1.001631 -0.539412
C -5.658552 1.113055 0.353957
C -6.739587 0.295883 -0.025988
H 4.792157 -0.765383 -0.912091
H 4.702576 -1.468689 0.733781
H 3.283742 0.452337 1.497769
H 3.326895 1.160396 -0.131354
H 2.148361 -1.614284 0.562556
H 2.236262 -0.931655 -1.075721
H 7.809969 0.105777 1.435895
H 6.885182 -1.428022 1.395787
H 6.835623 2.136282 0.341228
H 5.339304 1.886996 -0.659229
H 0.705044 0.340077 1.292923
H 0.781283 1.005226 -0.352658
H 8.845787 -0.923577 -0.476586
H 7.314993 -1.702221 -1.024828
H -0.344690 -1.091127 -1.251764
H -0.425127 -1.752830 0.397793
H -1.893040 0.191533 1.110996
H -1.814391 0.853901 -0.549066
H -4.912077 -2.428322 -1.043967
H -7.320584 -1.650977 -0.839718
H -5.817914 2.119161 0.754272


