%chk=000203476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203476

0 1
Br -3.630826 -2.268852 1.267568
N -1.370882 -1.103895 0.265782
N 1.344158 -0.115539 -0.053787
N -1.094276 1.845492 -0.841139
N -4.717942 1.480759 -0.211788
C -0.564306 -1.421502 -0.955586
C -0.524602 -0.884999 1.471685
C 0.960057 -1.391821 -0.726724
C 0.669321 0.068620 1.275021
C -2.377110 -0.080860 0.066203
C 2.730727 0.248166 -0.085531
C -2.298156 1.213045 -0.503703
C -3.635825 -0.533162 0.500568
C 3.669893 -0.446334 -0.876611
C 3.142589 1.410408 0.607811
C -3.525342 1.940996 -0.628453
C 4.982729 0.018505 -0.972346
C 4.458900 1.855273 0.502051
C -4.783280 0.247544 0.362342
C 5.387380 1.164975 -0.284770
H -0.836652 -0.772904 -1.813372
H -0.866671 -2.458655 -1.241489
H -0.168596 -1.895339 1.782424
H -1.163543 -0.514158 2.304609
H 1.279146 -2.285379 -0.145578
H 1.472698 -1.449325 -1.714235
H 0.317301 1.127398 1.307348
H 1.378781 -0.061011 2.122005
H 3.388213 -1.343810 -1.420619
H 2.436268 1.977591 1.208567
H -3.525251 2.943208 -1.072661
H 5.698964 -0.525081 -1.588620
H 4.766264 2.753504 1.038032
H -5.769266 -0.091025 0.696070
H 6.411804 1.518355 -0.360244
H -0.264932 1.263992 -0.937244
H -1.145233 2.576919 -1.535086


%chk=000203476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203476

0 1
Br -4.109643 -1.779866 1.584394
N -1.269081 -1.020759 0.324030
N 1.349214 -0.411441 0.258014
N -0.716731 1.341051 -1.208501
N -4.373295 1.760719 -0.678313
C -0.518382 -1.705711 -0.745902
C -0.622688 -1.062647 1.640052
C 1.003702 -1.688848 -0.414363
C 0.735798 -0.290087 1.607583
C -2.293653 -0.090535 0.014828
C 2.584962 0.250692 0.007422
C -2.014372 1.077466 -0.790514
C -3.629918 -0.231628 0.469408
C 3.203660 0.197857 -1.279002
C 3.209412 1.044899 1.014842
C -3.102942 1.938209 -1.123514
C 4.395907 0.903169 -1.535780
C 4.398699 1.754388 0.741000
C -4.639359 0.695576 0.132054
C 5.007416 1.690178 -0.531268
H -0.709306 -1.192250 -1.705594
H -0.853102 -2.759904 -0.855935
H -0.455815 -2.116583 1.941450
H -1.284968 -0.616821 2.399347
H 1.262438 -2.545063 0.245769
H 1.589366 -1.813634 -1.336174
H 0.561472 0.782619 1.815044
H 1.409400 -0.686573 2.402227
H 2.749104 -0.376696 -2.092653
H 2.779260 1.107228 2.017901
H -2.929405 2.821575 -1.751789
H 4.845201 0.843318 -2.533814
H 4.854675 2.354762 1.536754
H -5.665177 0.580163 0.492305
H 5.932631 2.237801 -0.737189
H 0.069979 0.828145 -0.781940
H -0.521960 2.190333 -1.733680


