%chk=000238709.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238709

0 1
Br 0.429563 2.639700 0.953904
Br 5.434006 0.154495 -0.184367
N -0.824674 0.389382 2.464629
N 0.866729 -2.496463 -0.271366
C -0.743652 -0.091766 0.061864
C -1.452761 -0.285452 -1.140397
C 0.726260 -0.072423 0.087721
C -1.478453 0.185247 1.250748
C -3.570126 -0.016020 0.031945
C -2.851915 -0.271320 -1.148677
C -2.892234 0.223119 1.226168
C 1.491577 -1.249151 -0.187124
C -0.737755 -0.502605 -2.438079
C 1.423008 1.103827 0.370973
C -5.064589 0.013018 -0.008954
C 2.900220 -1.166964 -0.282068
C 2.815575 1.201267 0.302583
C 3.524924 0.052465 -0.044878
H -3.388642 -0.436717 -2.077017
H -3.443769 0.432962 2.136021
H 0.298838 -0.137498 -2.420717
H -0.716425 -1.564631 -2.712312
H -1.236308 0.030153 -3.261800
H -5.472029 -0.874582 -0.512584
H -5.518201 0.055222 0.989446
H -5.421306 0.893049 -0.564627
H 3.484265 -2.055473 -0.517213
H 3.325443 2.142355 0.510550
H 0.178416 0.381894 2.524594
H -1.301521 0.862800 3.210269
H -0.141306 -2.517523 -0.354185
H 1.344446 -3.242065 -0.749249


%chk=000238709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238709

0 1
Br 0.648117 2.940029 -0.048681
Br 5.548316 -0.136865 0.041173
N -0.761765 0.088858 2.438159
N 0.712799 -2.422941 0.007708
C -0.753480 0.009769 -0.011530
C -1.483963 -0.055307 -1.233815
C 0.746151 0.016664 -0.003336
C -1.461022 0.031842 1.233216
C -3.608673 -0.081447 0.024500
C -2.896965 -0.102806 -1.204544
C -2.885131 -0.018302 1.231689
C 1.445791 -1.244135 0.012426
C -0.746216 -0.058161 -2.561846
C 1.537468 1.186890 -0.010006
C -5.128019 -0.109254 0.033330
C 2.870837 -1.280222 0.027600
C 2.951169 1.187412 0.001231
C 3.583405 -0.072126 0.021164
H -3.451317 -0.149817 -2.149509
H -3.423443 -0.000511 2.188307
H -0.203629 0.894017 -2.714158
H 0.008068 -0.865703 -2.610144
H -1.446158 -0.189501 -3.404396
H -5.520249 -0.894923 -0.638300
H -5.526769 -0.295687 1.045577
H -5.544272 0.854740 -0.317287
H 3.398563 -2.238597 0.040022
H 3.521298 2.117178 -0.008164
H 0.248778 0.203800 2.436685
H -1.259520 0.169111 3.319621
H -0.304822 -2.375764 0.017584
H 1.172257 -3.327939 0.041527


