%chk=000261128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261128

0 1
Br 6.733677 0.229435 -0.107481
O 1.559053 0.598378 -0.061615
O -4.662190 0.863909 0.016460
O -4.424718 -1.267424 0.295710
N -3.978119 -0.140695 0.137676
C 3.862307 0.247473 -0.057075
C 2.529954 -0.492723 0.065834
C 0.230531 0.304655 0.001752
C 5.023972 -0.724702 0.051032
C -0.590132 1.451683 -0.135848
C -0.313168 -0.979549 0.182549
C -2.520387 0.013831 0.090602
C -1.963911 1.300227 -0.090652
C -1.697733 -1.117264 0.226105
H 3.923969 1.037338 0.724773
H 3.892007 0.805154 -1.019927
H 2.358560 -1.212051 -0.752685
H 2.391544 -0.972145 1.049599
H 5.011363 -1.483264 -0.751829
H 5.044029 -1.246710 1.024309
H -0.124229 2.427224 -0.274101
H 0.318216 -1.856281 0.287727
H -2.632332 2.164178 -0.193372
H -2.156864 -2.103978 0.365759


%chk=000261128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261128

0 1
Br 6.868364 0.062695 -0.092247
O 1.571324 0.696489 -0.075858
O -4.781460 0.835246 0.025691
O -4.458091 -1.406353 0.312239
N -4.017108 -0.201219 0.146300
C 3.935414 0.249250 -0.056675
C 2.549253 -0.403134 0.056572
C 0.213466 0.390230 -0.010526
C 5.042691 -0.804525 0.060112
C -0.661819 1.502548 -0.142573
C -0.307568 -0.919189 0.173421
C -2.557926 0.003787 0.092120
C -2.048823 1.313253 -0.091533
C -1.700670 -1.109545 0.224186
H 4.044789 1.007497 0.738332
H 4.009643 0.774267 -1.025064
H 2.383771 -1.145302 -0.751287
H 2.414754 -0.901321 1.038593
H 5.015770 -1.547037 -0.753063
H 5.053068 -1.310607 1.038397
H -0.227145 2.496083 -0.282690
H 0.353811 -1.783306 0.276647
H -2.745058 2.149861 -0.189806
H -2.135051 -2.102966 0.364012


