%chk=000241409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241409

0 1
Br -7.991851 -1.561951 -0.335911
S -1.248236 -0.334568 0.227942
N 3.705996 -0.674441 0.681974
N 1.673963 -1.758538 0.600563
N 2.896448 1.670827 0.356454
N 0.420300 1.756941 0.140838
N 1.761104 3.701648 -0.063658
C 5.847490 -0.702057 -0.668862
C 5.165328 -0.484520 0.707672
C 2.745865 0.313440 0.472469
C 5.274295 0.239647 -1.727979
C 5.758479 -2.161890 -1.119033
C 1.470200 -0.379921 0.435734
C 2.993878 -1.920325 0.732908
C 0.322942 0.421582 0.265714
C 1.703526 2.333744 0.170695
C -2.395539 1.061338 -0.017215
C -3.740472 0.423317 -0.093085
C -4.496808 0.227492 1.074760
C -4.259764 0.014370 -1.333016
C -5.760851 -0.363932 1.006908
C -5.522979 -0.577701 -1.409232
C -6.259719 -0.757683 -0.236581
H 6.929949 -0.446995 -0.519479
H 5.599377 -1.177850 1.462656
H 5.373741 0.556397 1.059839
H 5.875640 0.227006 -2.642662
H 4.249487 -0.035003 -2.008740
H 5.229833 1.276594 -1.369253
H 6.330240 -2.322009 -2.041550
H 6.155287 -2.849843 -0.366393
H 4.725107 -2.459425 -1.336495
H 3.510294 -2.858325 0.881302
H -2.127703 1.626822 -0.933625
H -2.303388 1.788946 0.814547
H -4.096981 0.532201 2.042325
H -3.674818 0.152903 -2.242837
H 2.619997 4.188687 0.147917
H 0.907399 4.236138 0.003900
H -6.343164 -0.514504 1.917041
H -5.920693 -0.894157 -2.374549


%chk=000241409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241409

0 1
Br -8.347371 -1.137679 -0.538866
S -1.257107 -0.623090 0.377423
N 3.787121 -0.688996 0.610055
N 1.820157 -1.888809 0.674457
N 2.863794 1.587569 0.316916
N 0.400290 1.575552 0.212808
N 1.623557 3.565501 0.058299
C 5.966487 -0.608511 -0.713695
C 5.230182 -0.382352 0.637531
C 2.756919 0.241109 0.456207
C 5.358497 0.246627 -1.848923
C 6.031398 -2.102592 -1.107479
C 1.544449 -0.519515 0.495120
C 3.160177 -1.946273 0.739705
C 0.346194 0.227792 0.358389
C 1.639428 2.195085 0.201943
C -2.420258 0.885767 0.149335
C -3.837088 0.394782 -0.012902
C -4.709954 0.315617 1.101926
C -4.326317 0.002475 -1.285725
C -6.041488 -0.135224 0.958111
C -5.653381 -0.451048 -1.450765
C -6.496171 -0.512540 -0.321634
H 7.004600 -0.257010 -0.531293
H 5.697609 -1.000087 1.427411
H 5.316783 0.679018 0.931596
H 5.968077 0.161882 -2.766985
H 4.334499 -0.092317 -2.091149
H 5.297147 1.312226 -1.564535
H 6.642175 -2.235487 -2.018778
H 6.482776 -2.717700 -0.305595
H 5.023314 -2.501661 -1.324694
H 3.734576 -2.857366 0.892684
H -2.045392 1.426510 -0.732565
H -2.285878 1.523186 1.036017
H -4.349263 0.606864 2.095095
H -3.664026 0.047622 -2.157814
H 2.502803 4.073806 0.044386
H 0.731380 4.043192 -0.025727
H -6.706675 -0.190362 1.824357
H -6.020818 -0.749160 -2.436643


