%chk=000269136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269136

0 1
Br -5.963543 -1.735903 -1.271848
O 4.904054 -0.808963 1.225362
N 3.876746 -0.256612 -0.765688
C -1.256759 1.589415 1.026649
C 0.090238 1.091337 0.575892
C -2.391332 0.782617 0.453259
C 0.414496 1.078968 -0.790289
C 1.036885 0.647681 1.509821
C 2.609465 0.190853 -0.270909
C 1.662259 0.633591 -1.219662
C 2.291901 0.199693 1.097711
C -2.405955 -0.614916 0.597252
C -3.449628 1.421706 -0.210038
C -3.464684 -1.367672 0.085793
C -4.515101 0.676264 -0.724344
C -4.509261 -0.710638 -0.569715
C 4.954668 -0.733291 0.014909
C 6.156238 -1.132041 -0.797455
H -1.334153 1.573033 2.137142
H -1.353200 2.663831 0.754798
H -0.319665 1.415025 -1.522939
H 0.799115 0.649487 2.573663
H 1.893937 0.629647 -2.281727
H 3.022615 -0.142839 1.839390
H -1.580228 -1.114857 1.105083
H -3.449011 2.504097 -0.328893
H -3.469875 -2.452519 0.199347
H -5.335288 1.178990 -1.238060
H 3.988597 -0.220847 -1.780314
H 5.940517 -1.950181 -1.496992
H 6.954881 -1.491158 -0.125163
H 6.576970 -0.294495 -1.368936


%chk=000269136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269136

0 1
Br -6.271806 -1.544694 -1.347997
O 5.197063 -0.566908 1.301994
N 3.974395 -0.310633 -0.687728
C -1.268357 1.507424 1.033647
C 0.103989 0.997505 0.598396
C -2.460236 0.767594 0.428103
C 0.412184 0.802944 -0.773186
C 1.121753 0.737894 1.547530
C 2.703474 0.120822 -0.208861
C 1.689796 0.373150 -1.173890
C 2.410700 0.305047 1.167649
C -2.515369 -0.650254 0.426022
C -3.557390 1.481979 -0.112585
C -3.633132 -1.339850 -0.092393
C -4.686699 0.812047 -0.639013
C -4.709292 -0.595857 -0.619724
C 5.126700 -0.624328 0.039902
C 6.308223 -1.046140 -0.836160
H -1.329502 1.447990 2.138739
H -1.358904 2.583355 0.782746
H -0.358464 0.983458 -1.531621
H 0.908388 0.876004 2.614962
H 1.904408 0.231077 -2.241619
H 3.185604 0.108302 1.910154
H -1.672619 -1.224073 0.828179
H -3.537819 2.578507 -0.126368
H -3.664187 -2.433259 -0.085557
H -5.525705 1.377529 -1.054380
H 4.048625 -0.399023 -1.704345
H 6.063983 -1.939636 -1.440405
H 7.159741 -1.283786 -0.182925
H 6.606356 -0.234884 -1.526165


