%chk=000224947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224947

0 1
Br -0.002697 0.771020 0.726895
O -3.376546 2.835863 -0.823554
O 3.378534 2.838476 -0.806516
N -2.376587 0.345125 0.185994
N 2.375385 0.348222 0.200898
N -1.230612 -3.135797 0.099262
N 1.234710 -3.134051 0.107776
N 0.005077 -5.103229 -0.370332
C -2.591740 0.561184 -1.289689
C -3.371194 1.162571 0.966492
C 2.598625 0.562334 -1.273865
C 3.365121 1.167531 0.985616
C -2.550103 -1.114925 0.509679
C 2.548318 -1.111199 0.527684
C -2.447767 2.056897 -1.605777
C -3.194219 2.642648 0.593132
C 2.454941 2.057459 -1.592832
C 3.188556 2.646940 0.609396
C -1.214123 -1.795709 0.332783
C 1.214694 -1.794071 0.341234
C -0.000616 -1.093787 0.447076
C 0.002910 -3.760802 -0.029684
H -1.810684 -0.014471 -1.832388
H -3.580297 0.197003 -1.640699
H -4.422912 0.854802 0.789207
H -3.154101 1.023117 2.047383
H 1.821207 -0.014847 -1.820153
H 3.589484 0.198599 -1.618788
H 4.418048 0.860590 0.814186
H 3.142586 1.029211 2.065532
H -3.334869 -1.627530 -0.091958
H -2.852581 -1.241172 1.577276
H 2.842377 -1.235379 1.597895
H 3.338593 -1.623428 -0.066988
H -1.422768 2.420276 -1.411962
H -2.751829 2.295433 -2.639738
H -3.987178 3.278650 1.023509
H -2.197424 3.020128 0.882569
H 2.764545 2.294872 -2.625405
H 1.428505 2.420051 -1.405236
H 2.189722 3.023622 0.892784
H 3.978375 3.284411 1.043335
H 0.867360 -5.622182 -0.296532
H -0.856926 -5.623458 -0.302499


%chk=000224947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224947

0 1
Br -0.006841 0.548690 2.384992
O -4.458095 2.354626 -1.039648
O 4.461827 2.361295 -1.011272
N -2.926949 0.313972 0.322505
N 2.925124 0.318601 0.341550
N -1.220849 -2.461104 -0.317440
N 1.226440 -2.459424 -0.310562
N 0.007636 -3.923744 -1.676801
C -3.413101 0.101841 -1.062347
C -3.822591 1.220191 1.078690
C 3.414991 0.109514 -1.042446
C 3.819021 1.222550 1.102546
C -2.594694 -0.944082 1.029140
C 2.590575 -0.941019 1.044293
C -3.550891 1.456041 -1.775598
C -3.950380 2.556766 0.327829
C 3.555945 1.465332 -1.752012
C 3.950170 2.560725 0.355130
C -1.226680 -1.445806 0.598485
C 1.225706 -1.444244 0.605512
C -0.002181 -0.906997 1.074679
C 0.004312 -2.916894 -0.740368
H -2.695251 -0.538881 -1.605659
H -4.403739 -0.419610 -1.066354
H -4.842567 0.780505 1.217415
H -3.384455 1.404774 2.077821
H 2.698046 -0.529207 -1.589326
H 4.405186 -0.412795 -1.045036
H 4.838257 0.781855 1.243554
H 3.377892 1.405245 2.100713
H -3.332243 -1.755507 0.833053
H -2.586087 -0.738392 2.114414
H 2.575813 -0.737117 2.129862
H 3.330252 -1.751159 0.850912
H -2.550180 1.930179 -1.868755
H -4.002320 1.336965 -2.774575
H -4.680854 3.221275 0.818438
H -2.956562 3.052590 0.288495
H 4.010093 1.348291 -2.749993
H 2.555911 1.940571 -1.846842
H 2.956888 3.057474 0.313918
H 4.679699 3.223497 0.849478
H 0.895504 -4.297592 -2.000184
H -0.877879 -4.298793 -2.005207


