%chk=000257180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257180

0 1
Br -5.012444 -1.311424 -1.096089
O 0.835783 0.504572 2.498887
O -0.436066 0.124785 -2.130205
O 2.249616 3.494888 -0.642115
N 1.538709 1.967563 0.930932
N 0.870186 1.795677 -1.369796
N -3.784396 -0.482425 0.302400
C 0.028192 0.043060 0.255198
C 0.604641 -1.392933 0.212549
C -1.446429 0.070292 0.729095
C 2.094614 -1.434528 -0.146593
C 0.810491 0.814968 1.329984
C 0.103352 0.613893 -1.164480
C -2.388803 -0.824520 -0.097296
C 2.600828 -2.883396 -0.213922
C 1.606265 2.503321 -0.384161
C 4.084971 -2.940698 -0.564830
C -4.171823 -1.060969 1.605766
H 0.026830 -1.992627 -0.523158
H 0.440298 -1.874299 1.200011
H -1.825149 1.116817 0.704832
H -1.478671 -0.237329 1.798460
H 2.274762 -0.937484 -1.120218
H 2.691232 -0.872650 0.599188
H -2.263177 -0.595687 -1.189613
H -2.128891 -1.896794 0.028442
H 2.018043 -3.453416 -0.964804
H 2.427078 -3.390409 0.756062
H 2.065891 2.476162 1.661535
H 0.903257 2.178638 -2.330935
H 4.699772 -2.420349 0.178888
H 4.290901 -2.482492 -1.539320
H 4.439798 -3.977219 -0.611965
H -4.035548 -2.147997 1.718220
H -5.235541 -0.828890 1.807794
H -3.581071 -0.558000 2.395955


%chk=000257180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257180

0 1
Br -5.000917 -1.284755 -1.112766
O 1.070810 0.364751 2.465425
O -0.209513 0.018900 -2.212015
O 1.693706 3.889297 -0.496176
N 1.346035 2.094821 0.961582
N 0.667099 1.946091 -1.296092
N -3.749251 -0.411307 0.251031
C 0.119959 0.015790 0.226306
C 0.667262 -1.445662 0.184102
C -1.385032 0.047683 0.719763
C 2.167013 -1.547017 -0.171228
C 0.890106 0.809686 1.302753
C 0.183918 0.628265 -1.183231
C -2.352766 -0.845051 -0.096226
C 2.655351 -3.013285 -0.216716
C 1.261394 2.729504 -0.291483
C 4.152168 -3.131740 -0.573733
C -4.176969 -0.897702 1.596843
H 0.079482 -2.007781 -0.563295
H 0.489134 -1.898447 1.177529
H -1.767603 1.086839 0.680294
H -1.363485 -0.263598 1.780031
H 2.353205 -1.078762 -1.159870
H 2.772272 -0.991448 0.573617
H -2.202666 -0.673335 -1.173198
H -2.180799 -1.922695 0.115960
H 2.051029 -3.574847 -0.957632
H 2.469219 -3.489820 0.767136
H 1.804988 2.636750 1.701652
H 0.635511 2.371425 -2.229056
H 4.780759 -2.603850 0.167898
H 4.359591 -2.689545 -1.566380
H 4.477027 -4.187696 -0.600465
H -4.027908 -1.987730 1.756542
H -5.236193 -0.644781 1.754366
H -3.576436 -0.340847 2.341429


