%chk=000236014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236014

0 1
Br 0.420938 -0.791175 2.077427
O 0.679912 1.145137 -1.000573
O -0.760570 -1.041777 -1.481641
N 2.740803 3.478252 0.139820
C 1.544951 1.128061 0.170643
C 0.601276 1.051764 1.409909
C -0.737770 1.566916 0.882342
C -0.711982 1.209961 -0.609488
C 2.545241 0.003920 0.025480
C -1.351540 -0.162435 -0.911293
C 2.223037 2.448406 0.163083
C 3.698215 -0.012518 0.826293
C 2.313718 -1.020761 -0.899902
C -2.768272 -0.293653 -0.443615
C 4.614235 -1.057792 0.696651
C 3.237212 -2.063171 -1.025349
C -3.769240 0.544948 -0.949764
C -3.081084 -1.284591 0.496263
C 4.385355 -2.083056 -0.229376
C -5.086170 0.394668 -0.506277
C -4.398582 -1.424710 0.941680
C -5.399986 -0.586268 0.441046
H 0.985247 1.637501 2.271125
H -0.812014 2.665457 1.021721
H -1.615545 1.147162 1.412145
H -1.146046 1.990825 -1.271122
H 3.882615 0.781630 1.547900
H 1.403007 -1.001655 -1.516081
H 5.508876 -1.074744 1.316643
H 3.055139 -2.860105 -1.745204
H -3.531319 1.301989 -1.695569
H -2.296824 -1.944141 0.873666
H 5.103353 -2.895839 -0.327699
H -5.869476 1.040118 -0.901696
H -4.645061 -2.192446 1.674388
H -6.427550 -0.699879 0.785921


%chk=000236014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236014

0 1
Br 0.690305 -0.722958 2.389388
O 0.593623 0.613885 -0.980436
O -1.004515 -1.561395 -0.727812
N 2.379665 3.491100 -0.446795
C 1.601236 0.963885 0.046268
C 0.789976 1.037207 1.398023
C -0.607826 1.494793 0.937961
C -0.770568 0.864606 -0.479432
C 2.769928 -0.021679 -0.032280
C -1.576420 -0.460759 -0.505100
C 2.060482 2.363422 -0.223028
C 4.061678 0.357489 0.404216
C 2.536210 -1.332701 -0.512245
C -3.058865 -0.378885 -0.274691
C 5.118037 -0.579241 0.377333
C 3.599364 -2.261066 -0.544253
C -3.758649 0.853202 -0.145483
C -3.786453 -1.598183 -0.193851
C 4.888994 -1.891237 -0.096834
C -5.154594 0.861690 0.060912
C -5.178614 -1.588247 0.015546
C -5.867253 -0.357142 0.143029
H 1.261304 1.715437 2.123338
H -0.607625 2.598120 0.857404
H -1.397277 1.197832 1.643690
H -1.247388 1.579887 -1.175736
H 4.251584 1.379049 0.755316
H 1.532965 -1.605348 -0.853530
H 6.116233 -0.282795 0.717369
H 3.418300 -3.274950 -0.917617
H -3.230601 1.810381 -0.214061
H -3.231608 -2.536345 -0.299633
H 5.709939 -2.616630 -0.122817
H -5.686959 1.814328 0.153780
H -5.729456 -2.532758 0.078461
H -6.951053 -0.347994 0.303097


