%chk=000191794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191794

0 1
Br -3.917204 -3.461817 -0.890358
O 4.080100 -0.564243 -1.842240
O -3.470746 1.333441 -1.114738
O -3.072320 -1.207394 2.218419
N -2.713017 -0.944274 -0.053406
C 2.619913 -0.776753 -0.023631
C 2.239134 -0.307158 1.380573
C 3.781177 0.100727 -0.577121
C 1.702471 1.153284 1.260616
C 3.243802 1.515660 -0.809293
C 2.730225 2.061286 0.535424
C 3.113535 -2.199138 -0.315563
C 1.185927 -1.190335 2.056902
C 0.320776 1.205299 0.635751
C 3.884583 -2.000376 -1.640911
C 5.080557 0.103751 0.233321
C -0.147153 -1.215949 1.307147
C -0.542740 0.082296 0.666651
C -0.119599 2.397758 0.053024
C -1.808982 0.177627 0.056365
C -1.379081 2.515187 -0.542960
C -2.213405 1.401554 -0.544202
C -3.358498 -1.474826 1.066725
C -3.965098 2.517081 -1.786960
C -4.408168 -2.519897 0.734949
H 1.725775 -0.610763 -0.685722
H 3.148049 -0.296894 2.029719
H 1.587965 1.551859 2.303991
H 2.434062 1.495084 -1.563889
H 4.024914 2.175221 -1.226486
H 3.592909 2.219490 1.214047
H 2.293326 3.067437 0.374753
H 2.282822 -2.912984 -0.421995
H 3.762316 -2.588886 0.484433
H 1.018054 -0.827611 3.091537
H 1.570613 -2.223239 2.159423
H 4.886827 -2.451522 -1.632744
H 3.320962 -2.322682 -2.528801
H 5.020730 0.745179 1.116892
H 5.355911 -0.902163 0.564134
H 5.904023 0.468178 -0.394590
H -0.946155 -1.522954 2.027737
H -0.131583 -2.006739 0.525837
H 0.539224 3.271523 0.050949
H -1.682810 3.457374 -0.985535
H -3.147069 -1.007838 -0.984111
H -4.948195 2.179625 -2.139648
H -3.313359 2.778136 -2.625755
H -4.065812 3.341580 -1.074818
H -4.491868 -3.252833 1.562946
H -5.405424 -2.060669 0.602711


%chk=000191794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191794

0 1
Br -5.105963 -2.757077 -1.151562
O 4.056714 -0.588003 -1.880730
O -3.533365 1.327531 -1.180108
O -2.997777 -1.483743 2.286363
N -2.792336 -0.887899 0.013241
C 2.683254 -0.756113 0.026993
C 2.254181 -0.268176 1.423895
C 3.821823 0.106217 -0.578409
C 1.716986 1.195910 1.277456
C 3.290543 1.531957 -0.793992
C 2.779436 2.093226 0.564753
C 3.190350 -2.195044 -0.217547
C 1.180150 -1.146698 2.093079
C 0.314371 1.229141 0.627706
C 3.899276 -2.051774 -1.603899
C 5.155886 0.098518 0.206045
C -0.111317 -1.238819 1.256454
C -0.558960 0.093324 0.667484
C -0.144738 2.413891 0.006930
C -1.847731 0.196353 0.075845
C -1.409606 2.509914 -0.608081
C -2.260928 1.390207 -0.583383
C -3.332815 -1.586819 1.064261
C -4.011626 2.522189 -1.880282
C -4.432158 -2.614327 0.769421
H 1.823942 -0.608292 -0.659753
H 3.142244 -0.240253 2.088603
H 1.600769 1.598271 2.307907
H 2.469491 1.497576 -1.534532
H 4.079005 2.193511 -1.200291
H 3.638337 2.200193 1.255556
H 2.395999 3.118596 0.417909
H 2.371720 -2.934157 -0.251995
H 3.900265 -2.512776 0.568650
H 0.940219 -0.717267 3.086365
H 1.571875 -2.166044 2.273127
H 4.896101 -2.533635 -1.614502
H 3.294070 -2.462502 -2.431438
H 5.085039 0.608563 1.183018
H 5.515263 -0.929331 0.388311
H 5.919575 0.618559 -0.398678
H -0.914786 -1.649830 1.890405
H 0.026315 -1.956456 0.420242
H 0.501073 3.296317 -0.019529
H -1.712847 3.443985 -1.088904
H -3.306291 -0.958422 -0.874642
H -5.003526 2.249079 -2.268572
H -3.340473 2.791532 -2.718436
H -4.104227 3.378321 -1.185154
H -4.070226 -3.622417 1.022959
H -5.320181 -2.371305 1.370939


