%chk=000256750.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256750

0 1
Br -2.073659 3.381907 1.136950
O 0.982662 0.746594 1.461031
N -1.214671 0.927733 -0.291194
N 3.755343 1.027989 1.417828
C -0.539674 -0.309543 -0.768733
C 0.967108 -0.119661 -0.746290
C -0.907765 -1.557896 0.026939
C 1.674159 0.378934 0.338881
C 1.700811 -0.497109 -1.909990
C 3.111136 0.515915 0.297005
C 3.807417 0.126690 -0.876418
C -2.600962 1.075416 -0.436972
C 3.068747 -0.384833 -1.982024
C -1.218163 -2.737611 -0.665387
C -0.935841 -1.548010 1.427214
C 5.233653 0.276872 -0.876886
C -1.560227 -3.894581 0.040066
C -1.281892 -2.705911 2.129387
C -3.203745 2.221011 0.140418
C -3.418125 0.208373 -1.198875
C -1.595618 -3.880211 1.438119
C 5.862497 0.781097 0.231246
C 5.076782 1.151263 1.375975
C -4.553655 2.504923 -0.030024
C -4.769612 0.499970 -1.368431
C -5.344929 1.638326 -0.790495
H -0.862410 -0.453837 -1.842449
H -0.769735 1.348828 0.537007
H 1.143142 -0.886589 -2.764988
H 3.605019 -0.681140 -2.881675
H -1.192226 -2.760603 -1.752821
H -0.678001 -0.636767 1.971918
H 5.793005 -0.015107 -1.766104
H -1.800818 -4.808076 -0.500609
H -1.306129 -2.691549 3.217839
H -3.000878 -0.691490 -1.641471
H -1.865963 -4.780450 1.986192
H 1.595745 1.119147 2.167500
H 6.942424 0.909946 0.268695
H 5.571036 1.557222 2.267890
H -4.992778 3.394915 0.423060
H -5.391257 -0.174548 -1.958592
H -6.401051 1.848953 -0.930535


%chk=000256750-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256750

0 1
Br -2.081747 3.546202 1.276000
O 1.050224 1.020096 1.436172
N -1.253651 0.839531 -0.130731
N 3.675983 1.243647 1.311277
C -0.588036 -0.343546 -0.685731
C 0.935065 -0.153502 -0.717044
C -0.940678 -1.667163 0.036560
C 1.657505 0.472045 0.308171
C 1.684328 -0.675597 -1.823946
C 3.087488 0.592526 0.240378
C 3.817033 0.060463 -0.877716
C -2.592240 1.137820 -0.348554
C 3.076349 -0.584197 -1.918781
C -1.182944 -2.842283 -0.714989
C -1.001193 -1.726773 1.450717
C 5.239411 0.231586 -0.848938
C -1.474409 -4.064623 -0.067785
C -1.293799 -2.946049 2.099174
C -3.185760 2.329120 0.175995
C -3.454445 0.294411 -1.119671
C -1.529552 -4.119428 1.343637
C 5.835019 0.888854 0.233417
C 5.015253 1.383381 1.298829
C -4.525592 2.677837 -0.055038
C -4.797481 0.641288 -1.362182
C -5.347502 1.832628 -0.838325
H -0.909055 -0.453344 -1.742463
H -0.726583 1.397799 0.548768
H 1.126243 -1.166152 -2.630264
H 3.602181 -0.996964 -2.786335
H -1.148831 -2.803264 -1.812353
H -0.823077 -0.816370 2.033279
H 5.848291 -0.153490 -1.674786
H -1.665388 -4.966597 -0.660386
H -1.341225 -2.982290 3.193502
H -3.070744 -0.655247 -1.501952
H -1.759825 -5.063833 1.849521
H 1.809542 1.411767 1.977457
H 6.918423 1.033281 0.280989
H 5.465008 1.901586 2.152595
H -4.924642 3.603716 0.370280
H -5.422247 -0.035043 -1.956490
H -6.391797 2.102675 -1.022062


