%chk=000271226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271226

0 1
Br 4.557386 -0.762590 -1.549612
C 0.282869 -0.686610 0.032018
C -0.785534 -1.755803 0.022990
C -0.318050 0.612454 0.014332
C -2.067665 -0.955096 0.005342
C -1.777008 0.445326 -0.000485
C 1.656651 -0.832466 0.049625
C 2.458794 0.330976 0.051238
C 0.473098 1.750441 0.008037
C 1.870964 1.600511 0.024353
C -3.376472 -1.405542 -0.005669
C -2.803152 1.378458 -0.017822
C 3.955623 0.217938 0.090761
C -4.411896 -0.451927 -0.022816
C -4.130900 0.914230 -0.028839
C 4.470895 -0.504722 1.318686
H -0.721008 -2.412294 0.911137
H -0.699302 -2.412890 -0.864076
H 2.120386 -1.817346 0.045782
H 0.028323 2.742735 -0.012265
H 2.495158 2.492847 0.013016
H -3.608467 -2.467017 -0.002077
H -2.591659 2.444699 -0.023507
H 4.445764 1.215108 -0.010241
H -5.446534 -0.791860 -0.031961
H -4.946734 1.634908 -0.042790
H 4.098103 -1.536240 1.388665
H 4.152474 0.012736 2.235841
H 5.568092 -0.559464 1.333136


%chk=000271226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271226

0 1
Br 4.750273 -0.166345 -1.690089
C 0.268295 -0.670564 0.135791
C -0.803436 -1.754117 0.177012
C -0.344920 0.615805 0.011661
C -2.098946 -0.957061 0.070277
C -1.807580 0.438842 -0.027169
C 1.662179 -0.797036 0.197419
C 2.476731 0.369112 0.135268
C 0.454409 1.778194 -0.057379
C 1.857457 1.643628 0.001311
C -3.429806 -1.409344 0.057299
C -2.851016 1.385211 -0.137731
C 3.976212 0.295755 0.217295
C -4.476561 -0.459308 -0.053377
C -4.187861 0.925578 -0.149948
C 4.575223 -0.716697 1.196136
H -0.758124 -2.346992 1.111693
H -0.692052 -2.473517 -0.658131
H 2.127443 -1.785843 0.277471
H 0.000775 2.770230 -0.157547
H 2.490898 2.536894 -0.061831
H -3.661620 -2.478163 0.130739
H -2.634618 2.456786 -0.213559
H 4.411610 1.297052 0.361671
H -5.518969 -0.796913 -0.065028
H -5.010476 1.644360 -0.235203
H 4.271720 -1.749734 0.958038
H 4.226495 -0.481563 2.220888
H 5.676465 -0.672747 1.179822


