%chk=000199006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199006

0 1
Br -4.789386 4.347963 0.316107
O -0.542341 -2.191515 -1.060368
O 0.892153 0.651939 0.007695
O 2.035302 0.815326 -1.942324
O 6.308214 3.103395 -0.226566
O 5.793896 1.523612 1.275678
C -0.309036 0.185746 -0.700444
C -0.627952 -1.141084 -0.105347
C -1.391813 1.206658 -0.443676
C -1.135839 -3.034607 1.015996
C -0.976718 -1.598781 1.131735
C -0.861453 -3.351815 -0.345311
C -2.399679 1.390683 -1.401151
C -1.398016 1.957353 0.739988
C -1.475289 -4.072966 1.892453
C -0.910776 -4.643405 -0.870658
C 2.023019 0.918414 -0.741169
C 3.118361 1.317765 0.205818
C -1.528654 -5.369303 1.386794
C -1.251372 -5.649660 0.029749
C -3.414982 2.324734 -1.176193
C -2.406984 2.896658 0.969672
C 4.216141 2.081442 -0.528589
C -3.404576 3.067174 0.007125
C 5.464985 2.150775 0.297896
H -0.067080 0.090278 -1.795489
H -1.113788 -1.028313 2.031415
H -2.399968 0.806726 -2.322643
H -0.605783 1.808356 1.476918
H -1.690022 -3.864113 2.938139
H -0.693835 -4.841366 -1.915803
H 3.532163 0.398552 0.693282
H 2.707967 1.913063 1.052693
H -1.790085 -6.194430 2.048188
H -1.306447 -6.682234 -0.316552
H -4.200791 2.466893 -1.920036
H -2.409768 3.482976 1.889735
H 3.880057 3.106084 -0.809708
H 4.449498 1.594720 -1.509948
H 7.164875 3.178509 0.275399


%chk=000199006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199006

0 1
Br -4.564706 4.648114 0.596127
O 0.072714 -2.305447 -0.531051
O 0.958103 0.455940 0.062458
O 1.760827 1.249287 -1.985716
O 6.301310 3.296808 -0.573847
O 6.077223 1.225710 0.450141
C -0.365896 0.110655 -0.604860
C -0.759083 -1.234837 -0.090575
C -1.371611 1.206683 -0.309055
C -1.633653 -3.146125 0.800067
C -1.789874 -1.704426 0.701000
C -0.475686 -3.474617 0.033887
C -2.091972 1.810582 -1.365833
C -1.597080 1.643732 1.020527
C -2.340668 -4.190044 1.449191
C 0.020034 -4.776338 -0.121217
C 1.936450 1.013512 -0.768281
C 3.217298 1.245467 0.012917
C -1.862869 -5.509463 1.307806
C -0.700794 -5.799692 0.535182
C -3.041588 2.825059 -1.108285
C -2.536154 2.660743 1.294899
C 4.135556 2.260405 -0.688576
C -3.252703 3.235500 0.223445
C 5.563959 2.167395 -0.194127
H -0.159742 0.057447 -1.691089
H -2.573937 -1.096808 1.146967
H -1.912344 1.496676 -2.400166
H -1.021861 1.202287 1.841166
H -3.233899 -3.979370 2.046336
H 0.912855 -4.983696 -0.717242
H 3.741924 0.274703 0.110310
H 2.967508 1.554590 1.041921
H -2.392332 -6.332032 1.800507
H -0.359114 -6.836504 0.447589
H -3.596292 3.288169 -1.928877
H -2.703679 3.000805 2.320708
H 3.778235 3.297438 -0.565892
H 4.134503 2.071640 -1.780176
H 7.243235 3.192255 -0.267784


