%chk=000219917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219917

0 1
Br 2.964563 -0.016717 -1.423345
O 0.627326 -1.878632 0.601406
N -0.083443 0.126736 -0.238078
C -1.444838 -0.436574 -0.562414
C 0.095418 1.603864 -0.396376
C -2.124127 -0.948824 0.727558
C -0.896633 2.390177 0.494389
C -1.307630 -1.533477 -1.621378
C -0.067162 2.003367 -1.867653
C 0.882992 -0.723830 0.295263
C -3.628863 -1.109730 0.553990
C -0.733962 2.074988 1.976746
C 2.305540 -0.168599 0.438652
C 3.188823 -1.085230 1.249258
H -2.056787 0.402170 -0.988848
H 1.135132 1.877627 -0.066334
H -1.661117 -1.913652 1.030179
H -1.910097 -0.246695 1.564491
H -0.741867 3.473443 0.319182
H -1.940550 2.186543 0.183391
H -2.288184 -1.908319 -1.929399
H -0.735229 -2.392223 -1.234172
H -0.782020 -1.173441 -2.511963
H 0.218013 3.048501 -2.027488
H -1.095433 1.880910 -2.225462
H 0.569544 1.387088 -2.517905
H -4.117022 -0.163014 0.298763
H -3.869277 -1.831696 -0.235824
H -4.090732 -1.478282 1.477970
H -1.370808 2.721969 2.591110
H -1.026357 1.031417 2.191190
H 0.296649 2.209089 2.319808
H 2.314044 0.868523 0.848380
H 3.156795 -2.120851 0.866891
H 4.237075 -0.762597 1.250781
H 2.846125 -1.139528 2.293742


%chk=000219917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219917

0 1
Br 3.310832 0.170778 -1.173795
O 0.679044 -1.996245 0.338212
N -0.129949 0.122869 -0.212788
C -1.489093 -0.448563 -0.532044
C 0.063397 1.588524 -0.463850
C -2.159264 -1.079134 0.720986
C -0.781271 2.456012 0.510859
C -1.428748 -1.404454 -1.746816
C -0.199104 1.951205 -1.945706
C 0.869700 -0.742465 0.207370
C -3.657344 -1.386768 0.505810
C -0.365734 2.311868 1.989568
C 2.255797 -0.168821 0.579348
C 3.063072 -1.124804 1.451620
H -2.106935 0.424744 -0.817569
H 1.125820 1.816176 -0.277959
H -1.613008 -1.996476 0.997832
H -2.052664 -0.368994 1.565126
H -0.674392 3.512611 0.195330
H -1.854774 2.207396 0.395445
H -2.448193 -1.715556 -2.036247
H -0.838142 -2.301531 -1.502516
H -0.966879 -0.903891 -2.615939
H 0.049780 3.014789 -2.112988
H -1.255556 1.805465 -2.234648
H 0.436550 1.340744 -2.609922
H -4.214578 -0.488464 0.174732
H -3.810261 -2.177922 -0.249886
H -4.118228 -1.737520 1.447064
H -1.015533 2.918646 2.645495
H -0.437168 1.260548 2.322857
H 0.675974 2.651174 2.147788
H 2.205213 0.837208 1.023581
H 3.126168 -2.118481 0.983293
H 4.075232 -0.727483 1.633917
H 2.546139 -1.248685 2.422940


