%chk=000250062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250062

0 1
Br -4.282008 1.514579 -0.008319
O 5.697164 -2.189356 0.005853
O -6.371906 -0.937653 -0.005723
N -0.404056 -0.487896 -0.001781
N -1.674456 0.044399 -0.003676
N -4.844344 -2.621997 -0.001610
N -3.603136 -3.122446 0.000201
C 1.982011 -0.319293 -0.000219
C 0.642383 0.303331 -0.002300
C 0.564057 1.793801 -0.004840
C 3.134550 0.484393 -0.001452
C 2.125502 -1.726699 0.003007
C 0.519830 2.487160 -1.222264
C 0.519528 2.491289 1.210215
C 4.522260 -1.480198 0.003666
C 4.409764 -0.083440 0.000467
C 3.381746 -2.313063 0.004960
C 0.429444 3.881776 -1.220523
C 0.429137 3.885887 1.203717
C -2.739763 -0.845143 -0.002987
C 0.383353 4.580839 -0.009592
C -4.030839 -0.343710 -0.004884
C -2.573597 -2.297260 -0.000402
C -5.190810 -1.201940 -0.004337
C 6.942050 -1.447373 0.004822
H 3.045145 1.573680 -0.003965
H 1.235051 -2.362324 0.003980
H 0.558806 1.939717 -2.164421
H 0.558266 1.947037 2.154228
H 5.285552 0.556600 -0.000540
H 3.508693 -3.394097 0.007448
H 0.393981 4.424367 -2.164951
H 0.393433 4.431685 2.146287
H -1.831685 1.066356 -0.005280
H 0.311310 5.668162 -0.011443
H -1.564393 -2.731981 0.001114
H -5.602220 -3.320770 -0.000985
H 7.683649 -2.257730 0.007033
H 7.023158 -0.839998 0.910653
H 7.024093 -0.844093 -0.903657


%chk=000250062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250062

0 1
Br -4.317760 1.675773 -0.007439
O 5.858462 -2.224704 0.006442
O -6.456868 -0.717248 -0.006328
N -0.364013 -0.585700 -0.001362
N -1.622999 -0.005591 -0.003158
N -4.922804 -2.480060 -0.002932
N -3.688748 -3.070020 -0.001180
C 2.034562 -0.381770 0.000254
C 0.689386 0.228535 -0.001860
C 0.543734 1.729416 -0.004543
C 3.200228 0.429780 -0.001575
C 2.204991 -1.801477 0.004147
C 0.457540 2.441496 -1.230112
C 0.458690 2.446104 1.218415
C 4.635618 -1.545512 0.004201
C 4.492516 -0.136504 0.000332
C 3.480712 -2.375454 0.006098
C 0.297031 3.845863 -1.231837
C 0.298141 3.850466 1.215013
C -2.758332 -0.797120 -0.003129
C 0.217663 4.553237 -0.009701
C -4.050206 -0.249299 -0.004883
C -2.638542 -2.246860 -0.001287
C -5.244567 -1.080650 -0.004904
C 7.084640 -1.420458 0.004649
H 3.099202 1.520117 -0.004579
H 1.315244 -2.437195 0.005626
H 0.522134 1.894750 -2.177775
H 0.524173 1.902909 2.168055
H 5.366366 0.521375 -0.001222
H 3.618180 -3.460959 0.009096
H 0.233098 4.384321 -2.183604
H 0.235066 4.392486 2.164813
H -1.736457 1.020030 -0.004574
H 0.092544 5.641483 -0.011691
H -1.651124 -2.707273 0.000076
H -5.718667 -3.124159 -0.002828
H 7.906188 -2.151156 0.006923
H 7.147538 -0.783702 0.908089
H 7.148142 -0.788670 -0.902226


