%chk=000223217.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223217

0 1
Br 0.346861 4.134901 0.310241
O 2.739085 2.354155 -0.753277
N 3.428686 -1.581361 -0.118989
C -1.633866 -0.803669 1.130457
C -3.005180 -0.288975 0.614200
C -3.382246 -0.419439 -0.888517
C -0.473983 0.042679 0.599144
C -1.617976 -0.639285 2.673190
C -1.459214 -2.298123 0.819562
C -4.610420 0.495124 -1.126350
C -3.789882 -1.864039 -1.240628
C -2.252029 0.031013 -1.825454
C 0.701208 -0.537099 0.089721
C -0.561550 1.440931 0.663830
C 1.771117 0.238919 -0.359485
C 0.494410 2.237717 0.218510
C 1.658070 1.647399 -0.292512
C 3.017266 -0.386646 -0.932393
C 3.935905 -1.160282 1.221207
C 4.477891 -2.355972 -0.848453
H -3.796045 -0.799612 1.199769
H -3.089046 0.781826 0.892684
H -1.787879 0.397405 2.978235
H -0.651653 -0.945199 3.089018
H -2.387698 -1.253725 3.149423
H -0.524805 -2.696849 1.229769
H -2.277594 -2.885243 1.251207
H -1.463911 -2.487794 -0.263181
H -4.372889 1.545911 -0.936042
H -5.450031 0.219635 -0.482350
H -4.958701 0.427125 -2.161701
H -4.548437 -2.250062 -0.554536
H -4.200572 -1.924320 -2.253356
H -2.928499 -2.542731 -1.200557
H -2.569716 0.009779 -2.872585
H -1.926603 1.053089 -1.603424
H -1.371825 -0.614981 -1.740274
H 0.811192 -1.626700 0.044664
H -1.465700 1.911041 1.059108
H 2.792017 -0.729788 -1.969579
H 3.824250 0.378420 -1.023759
H 2.615464 3.338393 -0.673843
H 4.155818 -2.058721 1.818283
H 3.141241 -0.604305 1.746466
H 4.835076 -0.527728 1.198282
H 4.744513 -3.243258 -0.251806
H 5.400797 -1.798886 -1.065765
H 4.059183 -2.722070 -1.799356


%chk=000223217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223217

0 1
Br 0.361300 4.368185 0.348043
O 2.823037 2.625545 -0.643570
N 3.386558 -1.561943 -0.285198
C -1.593987 -0.700948 1.176585
C -2.982550 -0.282615 0.563481
C -3.381504 -0.558313 -0.931809
C -0.428770 0.179035 0.655809
C -1.704795 -0.450166 2.718553
C -1.306251 -2.211260 0.981954
C -4.600924 0.362681 -1.234165
C -3.845484 -2.027451 -1.146307
C -2.254266 -0.219820 -1.941826
C 0.790995 -0.363518 0.181086
C -0.538152 1.594520 0.707374
C 1.875277 0.437387 -0.239754
C 0.530786 2.396412 0.282171
C 1.744304 1.849567 -0.199862
C 3.166699 -0.180114 -0.771538
C 3.792788 -1.602196 1.135395
C 4.311101 -2.323852 -1.147471
H -3.762696 -0.758326 1.195500
H -3.095665 0.807650 0.733923
H -1.977782 0.598074 2.939075
H -0.742000 -0.661983 3.218569
H -2.478977 -1.104650 3.162006
H -0.434824 -2.527183 1.585304
H -2.176791 -2.804639 1.314877
H -1.098339 -2.471453 -0.069866
H -4.315332 1.430436 -1.181657
H -5.420035 0.191852 -0.509122
H -4.998321 0.166165 -2.247886
H -4.665444 -2.288865 -0.449824
H -4.224988 -2.158374 -2.177890
H -3.028769 -2.752040 -0.997385
H -2.627924 -0.342126 -2.976852
H -1.905358 0.822182 -1.824931
H -1.376480 -0.878393 -1.820074
H 0.951195 -1.443881 0.123241
H -1.449386 2.074358 1.075203
H 3.111662 -0.214428 -1.878215
H 4.020106 0.497414 -0.529047
H 2.608527 3.591673 -0.543898
H 3.841868 -2.651026 1.479026
H 3.047436 -1.072052 1.752717
H 4.790573 -1.128379 1.317117
H 4.377490 -3.366201 -0.786694
H 5.348906 -1.904090 -1.170288
H 3.927287 -2.344249 -2.183087


