%chk=000209766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209766

0 1
Br 3.631847 3.122701 -1.498175
O -1.437719 -2.987938 -0.885276
O -1.040025 -0.654887 3.235994
O 3.336188 -2.777813 1.147580
N -2.048975 -0.872558 -0.108274
N -2.015469 -0.208106 1.162168
C -0.885856 -2.316268 1.421373
C 0.626373 -2.558128 1.409345
C -1.472648 -2.197821 0.018430
C -1.249631 -1.003119 2.106131
C 1.412270 -1.422637 0.747364
C -3.217801 -0.644901 -0.941838
C -1.885883 1.239477 1.146174
C 2.891914 -1.746822 0.687233
C -3.138592 -1.092685 -2.273796
C -2.097665 1.903850 2.368805
C -4.361959 0.019495 -0.472468
C -1.597782 1.959779 -0.023852
C 3.788203 -0.751591 0.024077
C -4.214106 -0.860514 -3.132221
C -2.023125 3.296789 2.405565
C -5.423374 0.247451 -1.351669
C -1.534937 3.354205 0.035138
C 3.358034 0.523764 -0.366266
C 5.123683 -1.128784 -0.204560
C -5.354141 -0.188493 -2.678278
C -1.745863 4.024999 1.243449
C 4.258041 1.394713 -0.980403
C 6.013641 -0.251233 -0.820146
C 5.596039 1.029803 -1.220798
C 6.548004 1.965901 -1.877800
H -1.384836 -3.169931 1.953563
H 0.986717 -2.704828 2.452042
H 0.840615 -3.517698 0.885908
H 1.034177 -1.234438 -0.280754
H 1.265282 -0.472911 1.305180
H -2.255589 -1.629596 -2.627359
H -2.303402 1.336510 3.279603
H -4.430218 0.357957 0.561668
H -1.430662 1.448480 -0.971934
H -4.161212 -1.207764 -4.164245
H -2.183132 3.817836 3.349795
H -6.312684 0.767057 -0.994963
H -1.316294 3.919686 -0.870800
H 2.327642 0.842646 -0.190566
H 5.455368 -2.124859 0.111327
H -6.186325 -0.008254 -3.355908
H -1.692970 5.111341 1.280936
H 7.044866 -0.560321 -0.991336
H 6.658548 2.899166 -1.300389
H 7.553856 1.542615 -1.999356
H 6.197668 2.258777 -2.881719


%chk=000209766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209766

0 1
Br 3.716427 2.939689 -1.942350
O -1.482066 -3.022210 -0.927060
O -0.785760 -0.561647 3.195704
O 3.437479 -2.878354 1.153157
N -2.144811 -0.910476 -0.072143
N -1.949760 -0.181346 1.164743
C -0.846910 -2.277593 1.376041
C 0.674741 -2.579423 1.368688
C -1.478717 -2.161531 -0.012461
C -1.180904 -0.956512 2.070624
C 1.499985 -1.476117 0.682627
C -3.272994 -0.618589 -0.917801
C -2.005970 1.258151 1.176198
C 2.996032 -1.804829 0.648618
C -3.204850 -0.970931 -2.288969
C -2.282234 1.915513 2.400640
C -4.441243 -0.017648 -0.385857
C -1.753213 2.005315 -0.001838
C 3.934960 -0.827124 -0.001544
C -4.318533 -0.725812 -3.120624
C -2.292379 3.326228 2.439978
C -5.538910 0.234584 -1.235026
C -1.782247 3.414660 0.052291
C 3.484287 0.393262 -0.570423
C 5.319879 -1.134686 -0.051078
C -5.485797 -0.118677 -2.603200
C -2.048211 4.082058 1.270259
C 4.410609 1.264535 -1.169619
C 6.224852 -0.244948 -0.654943
C 5.800947 0.983889 -1.235141
C 6.798232 1.920181 -1.879377
H -1.354518 -3.112451 1.898213
H 1.013160 -2.704012 2.411580
H 0.835226 -3.543244 0.855432
H 1.151736 -1.321174 -0.359602
H 1.363863 -0.508275 1.207519
H -2.305480 -1.446888 -2.685284
H -2.464117 1.329697 3.304201
H -4.492361 0.245926 0.674196
H -1.540327 1.494918 -0.945439
H -4.267709 -1.006985 -4.177985
H -2.497149 3.833045 3.389065
H -6.439025 0.703036 -0.822532
H -1.590539 3.990029 -0.859923
H 2.426351 0.667427 -0.546694
H 5.656798 -2.077403 0.391431
H -6.342425 0.076960 -3.256790
H -2.065537 5.176397 1.306456
H 7.291875 -0.492571 -0.687293
H 6.786539 2.912914 -1.392588
H 7.820555 1.512870 -1.815450
H 6.556268 2.090271 -2.944927


