%chk=000253681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253681

0 1
Br -9.879323 0.039801 0.353063
O 2.119198 -2.371404 -0.389610
O 2.114352 2.226277 -0.943921
N 1.804352 -0.092544 -0.829754
C -2.036195 -0.106133 -0.914106
C -3.113836 0.023259 0.170998
C -0.629057 -0.032386 -0.309464
C -4.523472 -0.050459 -0.431035
C 0.440074 -0.163350 -1.405058
C -5.600941 0.078921 0.653797
C -7.010204 0.005054 0.046100
C 2.522386 -1.239591 -0.336364
C 2.519871 1.140391 -0.623295
C 3.810748 -0.682688 0.203071
C 3.809257 0.730332 0.032713
C -8.068097 0.134058 1.130315
C 4.879481 -1.331307 0.781765
C 4.876493 1.500127 0.440398
C 5.977521 -0.542950 1.203098
C 5.976064 0.836785 1.036753
H -2.166140 0.694135 -1.669082
H -2.164705 -1.062556 -1.458198
H -2.984090 -0.775573 0.926977
H -2.985765 0.978737 0.716098
H -0.495929 -0.832524 0.445631
H -0.497248 0.924151 0.234391
H -4.652046 0.748054 -1.187709
H -4.650381 -1.005805 -0.976854
H 0.337019 -1.135683 -1.940414
H 0.335130 0.653634 -2.156179
H -5.471358 -0.720859 1.408791
H -5.472594 1.034738 1.198217
H -7.135077 -0.950199 -0.504755
H -7.136429 0.803052 -0.714696
H -8.006041 -0.679148 1.873206
H -8.007269 1.099662 1.660363
H 4.884968 -2.414109 0.913121
H 4.879692 2.583130 0.310641
H 6.834346 -1.036487 1.664634
H 6.831744 1.427656 1.367551


%chk=000253681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253681

0 1
Br -10.051711 -0.041435 0.278592
O 2.155501 -2.406063 -0.379934
O 2.158358 2.274528 -0.901651
N 1.839876 -0.080841 -0.778248
C -2.031440 -0.088383 -0.869981
C -3.148040 0.056231 0.188281
C -0.615379 -0.000485 -0.260148
C -4.567348 -0.047966 -0.413402
C 0.481897 -0.143316 -1.339512
C -5.685259 0.095024 0.645316
C -7.101204 -0.021318 0.022727
C 2.568818 -1.220393 -0.328026
C 2.570000 1.128873 -0.589578
C 3.873493 -0.687647 0.184221
C 3.874359 0.720168 0.027642
C -8.187671 0.114294 1.090414
C 4.970765 -1.363279 0.737727
C 4.972510 1.499304 0.419877
C 6.087410 -0.583815 1.139050
C 6.088196 0.825405 0.982719
H -2.152776 0.701476 -1.640261
H -2.148092 -1.059912 -1.393832
H -3.019714 -0.726372 0.964594
H -3.037706 1.031558 0.706007
H -0.484302 -0.798306 0.496476
H -0.489533 0.970110 0.257704
H -4.696176 0.733896 -1.190112
H -4.676208 -1.023654 -0.930515
H 0.383170 -1.115238 -1.856191
H 0.392570 0.669796 -2.082688
H -5.554162 -0.685281 1.423343
H -5.581094 1.073420 1.158214
H -7.203492 -0.996962 -0.489106
H -7.235842 0.762351 -0.746641
H -8.148276 -0.688532 1.843355
H -8.183556 1.099982 1.581630
H 4.959430 -2.451651 0.852238
H 4.962636 2.586340 0.293282
H 6.962567 -1.076436 1.576041
H 6.963922 1.400728 1.301571


