%chk=000285423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285423

0 1
Br 1.112990 -6.331096 -0.398422
N -0.441724 -0.436291 0.221142
C 0.236661 0.402160 1.251439
C -0.855345 0.352426 -0.980836
C 0.002793 -1.768954 0.032789
C 1.508009 1.063252 0.768940
C -1.900466 1.376671 -0.603039
C 0.611625 -2.472542 1.103707
C -0.262633 -2.468788 -1.169916
C 2.645637 0.297024 0.478037
C -3.073896 0.981850 0.056835
C 1.552466 2.456821 0.617685
C -1.709516 2.724382 -0.939494
C 0.933057 -3.819892 0.975766
C 0.061179 -3.817398 -1.293186
C 3.817784 0.921556 0.043652
C -4.049127 1.930064 0.374322
C 2.728026 3.077819 0.186386
C -2.691156 3.668279 -0.623216
C 0.660335 -4.485335 -0.222871
C 3.862110 2.312048 -0.101341
C -3.860785 3.273916 0.033444
H 0.447973 -0.220125 2.154756
H -0.507349 1.166639 1.585887
H -1.293740 -0.335065 -1.747492
H 0.026607 0.836586 -1.462445
H 0.815797 -1.962224 2.045284
H -0.734762 -1.958100 -2.009306
H 2.617865 -0.787652 0.585100
H -3.214896 -0.065202 0.327079
H 0.670784 3.058473 0.836254
H -0.800187 3.039733 -1.448345
H 1.396052 -4.348766 1.811206
H -0.152909 -4.342438 -2.226216
H 4.699021 0.322381 -0.181578
H -4.958809 1.621275 0.887204
H 2.759959 4.160379 0.074858
H -2.543082 4.713469 -0.889758
H 4.777054 2.796412 -0.436868
H -4.623499 4.010254 0.278656


%chk=000285423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285423

0 1
Br 1.081123 -6.496795 -0.433113
N -0.379027 -0.464604 0.190340
C 0.257894 0.379523 1.236835
C -0.918810 0.279058 -0.969883
C -0.007175 -1.822070 0.037103
C 1.524996 1.096193 0.756614
C -1.912185 1.367331 -0.567797
C 0.279201 -2.640110 1.175195
C 0.058032 -2.445937 -1.247187
C 2.683574 0.357682 0.397590
C -2.998163 1.065296 0.293728
C 1.558847 2.509339 0.657204
C -1.798054 2.676671 -1.093016
C 0.599700 -4.004360 1.040723
C 0.367336 -3.816151 -1.385891
C 3.848201 1.019740 -0.048716
C -3.951383 2.053833 0.620509
C 2.725383 3.175689 0.214525
C -2.754684 3.668227 -0.772685
C 0.637773 -4.589516 -0.242536
C 3.873679 2.432113 -0.140435
C -3.834230 3.359594 0.085636
H 0.494007 -0.254781 2.105672
H -0.480447 1.126949 1.576770
H -1.451550 -0.448535 -1.609073
H -0.106449 0.726291 -1.584705
H 0.221795 -2.224956 2.185809
H -0.099135 -1.864615 -2.159450
H 2.671562 -0.736539 0.467187
H -3.083370 0.052811 0.706607
H 0.667757 3.089457 0.928438
H -0.957107 2.921833 -1.753752
H 0.802370 -4.605706 1.932045
H 0.413100 -4.263167 -2.383451
H 4.736483 0.437610 -0.319185
H -4.786910 1.808232 1.285850
H 2.737359 4.269545 0.147454
H -2.655008 4.677151 -1.188650
H 4.779279 2.945451 -0.482835
H -4.575860 4.126222 0.336627


