%chk=000218039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218039

0 1
Br -7.517362 1.663118 0.404502
Cl 5.023193 -0.063437 -2.796815
Cl 2.848545 1.836684 2.694009
O 3.170741 -1.483668 -1.244246
O 0.329397 -1.229809 0.380983
N -1.725452 -0.229824 0.891758
N -0.088128 -2.089973 -1.663113
N -1.224545 -1.479789 -1.256606
C 2.255376 -2.418594 -0.624841
C -3.083114 0.190862 0.714876
C 0.851162 -1.962687 -0.730956
C 3.495203 -0.321751 -0.583100
C -0.995790 -0.945455 -0.023833
C -3.640874 0.953776 1.763780
C -3.841026 -0.130627 -0.422419
C 4.434451 0.472812 -1.285162
C 2.998020 0.091141 0.656279
C -4.961584 1.389268 1.665704
C -5.162931 0.311591 -0.509494
C 3.459006 1.308502 1.166420
C 4.871327 1.679576 -0.745430
C -5.712296 1.064787 0.531024
C 4.382161 2.108699 0.496998
H 2.554123 -2.623047 0.421898
H 2.429610 -3.318249 -1.266598
H -1.235380 0.059966 1.744249
H -3.057425 1.208136 2.646819
H -3.421206 -0.719550 -1.246251
H 2.265192 -0.497118 1.207039
H -5.399357 1.979966 2.473807
H -5.755899 0.063305 -1.394063
H 5.594571 2.291186 -1.290280
H 4.719990 3.051905 0.924961


%chk=000218039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218039

0 1
Br -7.884194 1.276670 0.495946
Cl 4.959000 0.290756 -3.042211
Cl 3.479863 1.439840 3.098123
O 3.036026 -1.247618 -1.418915
O 0.288408 -0.921974 0.248648
N -1.819063 0.024353 0.718372
N -0.252324 -2.327507 -1.471968
N -1.460796 -1.665143 -1.049161
C 2.181045 -2.265316 -0.764991
C -3.217021 0.280641 0.630396
C 0.741466 -1.884800 -0.713923
C 3.588292 -0.215378 -0.654929
C -1.095246 -0.847665 -0.044256
C -3.770168 1.224871 1.533729
C -4.048992 -0.370065 -0.316585
C 4.541380 0.611031 -1.310975
C 3.270088 0.049641 0.700268
C -5.146927 1.521940 1.496942
C -5.427482 -0.070419 -0.350826
C 3.914478 1.115226 1.355872
C 5.167720 1.670811 -0.634343
C -5.965881 0.868758 0.551755
C 4.861410 1.936396 0.721452
H 2.577751 -2.513892 0.236849
H 2.264555 -3.143825 -1.421764
H -1.288753 0.546096 1.418874
H -3.132377 1.732057 2.267914
H -3.620664 -1.096749 -1.012135
H 2.514013 -0.533481 1.228672
H -5.570633 2.250135 2.193857
H -6.070807 -0.570232 -1.080395
H 5.899211 2.288948 -1.162570
H 5.346319 2.757592 1.254180


