%chk=000269172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269172

0 1
Br -1.616102 -2.137501 -1.631874
O 2.040222 3.178030 -0.651364
O 3.251611 2.474888 1.085676
N -0.127028 -1.267023 0.017923
C 0.089780 1.156460 0.345120
C 2.096022 -0.213826 -0.007588
C 1.464967 1.054991 0.216632
C -0.673810 -0.069265 0.277860
C 1.252478 -1.355311 -0.122254
C -2.153457 -0.141470 0.334197
C -0.589720 2.465968 0.535797
C 3.509507 -0.395378 -0.121094
C 1.821571 -2.647531 -0.374937
C -2.771378 -1.042992 -0.560048
C -2.957544 0.583634 1.217756
C 2.346314 2.245254 0.319017
C 4.031821 -1.642759 -0.356555
C 3.180829 -2.780243 -0.490026
C -4.152358 -1.170135 -0.636157
C -4.351786 0.455311 1.156685
C -4.946256 -0.401543 0.228431
H -1.588036 2.490515 0.071363
H -0.709604 2.706226 1.602653
H -0.031114 3.299717 0.074835
H 4.167557 0.468019 -0.002053
H 1.143844 -3.499134 -0.463201
H -2.505068 1.233203 1.966177
H 5.109476 -1.785276 -0.442207
H 3.633453 -3.753115 -0.679855
H -4.615656 -1.859495 -1.342654
H -4.974106 1.026933 1.844885
H -6.031428 -0.488278 0.180154
H 2.644497 3.969126 -0.618494


%chk=000269172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269172

0 1
Br -2.218574 0.492282 -2.673096
O 1.793600 3.168794 -1.145510
O 3.367550 2.555789 0.432574
N -0.036255 -1.347948 0.256939
C 0.073230 1.105720 0.011492
C 2.169790 -0.224849 0.070656
C 1.482912 1.044674 -0.041047
C -0.642255 -0.151076 0.137033
C 1.346455 -1.406154 0.225983
C -2.144354 -0.198414 0.192862
C -0.699926 2.410143 0.010998
C 3.593939 -0.391073 0.030372
C 1.955234 -2.696045 0.342168
C -2.989376 0.069913 -0.911448
C -2.766148 -0.581544 1.411843
C 2.307143 2.288129 -0.181904
C 4.162234 -1.663135 0.139739
C 3.343638 -2.825479 0.298662
C -4.394711 -0.008731 -0.817479
C -4.169183 -0.662093 1.529642
C -4.986161 -0.368173 0.414333
H -1.687839 2.277625 0.481126
H -0.159754 3.204884 0.550878
H -0.859450 2.770837 -1.019963
H 4.239288 0.485543 -0.062821
H 1.290059 -3.557257 0.455036
H -2.123114 -0.824415 2.264254
H 5.251951 -1.771446 0.108590
H 3.810435 -3.812662 0.382980
H -5.015129 0.196302 -1.694559
H -4.621188 -0.957315 2.482217
H -6.076968 -0.428804 0.490989
H 2.392427 3.963977 -1.198740


