%chk=000206838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206838

0 1
Br 4.785412 1.520614 1.302104
O -0.973214 -0.415678 -1.965679
O -4.937349 0.170901 0.351484
N -2.708183 -0.000696 1.084827
N -3.123707 -0.105837 -1.147961
C -1.425944 -0.143205 0.460052
C 1.083061 -0.266522 0.543510
C -0.259809 -0.151852 1.123609
C -1.704834 -0.243564 -1.029061
C -3.761739 0.043129 0.129886
C 2.107812 0.534130 1.087138
C 1.379454 -1.160773 -0.496680
C 3.396686 0.427536 0.569780
C 2.682661 -1.252694 -0.995337
C 3.703776 -0.458068 -0.466981
H -0.265750 -0.046189 2.218401
H -2.841688 0.099910 2.080960
H -3.635968 -0.119315 -2.025634
H 1.888428 1.233621 1.894722
H 0.591320 -1.778591 -0.932004
H 2.902241 -1.946556 -1.807933
H 4.718233 -0.530201 -0.861103


%chk=000206838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206838

0 1
Br 4.942554 0.714407 2.083562
O -1.310600 -1.204541 -1.927884
O -5.037779 0.221821 0.588733
N -2.681039 0.352890 0.963805
N -3.367259 -0.614467 -0.918061
C -1.488760 -0.032815 0.293553
C 1.121320 -0.076173 0.355559
C -0.237495 0.208378 0.820919
C -1.961444 -0.686810 -0.981066
C -3.846980 0.015291 0.261112
C 2.179540 0.347385 1.222768
C 1.465051 -0.727011 -0.868704
C 3.517222 0.120423 0.866198
C 2.817681 -0.939262 -1.198983
C 3.863804 -0.521401 -0.341054
H -0.260321 0.719512 1.797039
H -2.723560 0.824417 1.865783
H -3.988287 -0.974927 -1.641957
H 1.943133 0.849664 2.167069
H 0.671791 -1.057998 -1.544381
H 3.070936 -1.438402 -2.140300
H 4.911389 -0.690280 -0.605608