%chk=000285879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285879

0 1
Br -5.603340 2.439703 -2.771749
F -7.453910 0.729212 0.989070
F -7.128684 2.549942 -0.018039
F -7.723273 0.820495 -1.097434
N 6.985787 0.956004 -0.764577
N 3.448842 -0.167552 -1.464428
N 1.464855 -0.552035 -0.307015
N 1.335903 -2.196482 1.491760
N -2.866324 -1.171066 1.352631
N -0.599742 -0.946324 0.716121
N -1.270043 -2.335617 2.638952
C 5.501963 0.961809 -0.580667
C 7.412161 1.934934 -1.818829
C 7.715976 1.129763 0.524635
C 4.920730 -0.080912 -1.565375
C 8.812387 1.584460 -2.323717
C 7.482091 2.449712 1.263471
C 2.818684 -0.832489 -0.422933
C 3.459306 -1.768856 0.424972
C 2.672901 -2.440551 1.369392
C 0.769301 -1.248122 0.643599
C -3.426224 -0.283966 0.382418
C -5.443601 0.871801 -0.347680
C 3.266764 -3.455414 2.288202
C -4.781453 0.064199 0.582420
C -2.740659 0.195207 -0.750130
C -1.491675 -1.493916 1.527953
C -4.753050 1.337415 -1.473123
C -3.408084 1.000603 -1.668600
C -6.893113 1.233101 -0.126629
H 5.036651 1.955965 -0.742220
H 5.237841 0.668332 0.459554
H 6.693638 1.870826 -2.666061
H 7.388299 2.987609 -1.461281
H 8.801494 1.007758 0.306962
H 7.436498 0.274047 1.179747
H 5.381747 -1.078321 -1.375476
H 5.179666 0.179637 -2.616309
H 9.583376 1.793104 -1.573611
H 8.886023 0.517221 -2.573311
H 9.059153 2.156869 -3.223946
H 8.069375 2.490356 2.187750
H 6.431472 2.586055 1.541035
H 7.774865 3.313319 0.655419
H 2.912728 0.554468 -1.950703
H 4.519095 -1.971487 0.337124
H 4.084342 -3.022895 2.883255
H 2.528477 -3.864542 2.994974
H 3.682356 -4.303138 1.723031
H -5.308898 -0.300402 1.464929
H -3.480545 -1.385993 2.146133
H -1.676978 -0.045255 -0.917361
H -2.868417 1.370156 -2.546163
H -1.979632 -2.995781 2.920012
H -0.310903 -2.693868 2.753749


%chk=000285879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285879

0 1
Br -5.975871 2.670668 -2.602806
F -7.667418 -0.119769 0.828426
F -7.704582 2.029207 0.128468
F -7.948924 0.342445 -1.366579
N 7.163873 0.925364 -0.785396
N 3.493110 0.016683 -1.289460
N 1.435811 -0.462819 -0.336861
N 1.204974 -2.031742 1.514960
N -2.925016 -1.153718 1.224321
N -0.683630 -0.883090 0.527704
N -1.238364 -2.369703 2.330810
C 5.711746 0.937670 -0.500794
C 7.548589 1.873706 -1.862327
C 8.030061 0.947436 0.420397
C 4.947644 -0.006334 -1.473354
C 8.945178 1.599130 -2.450356
C 8.035629 2.266019 1.242368
C 2.789236 -0.679403 -0.331594
C 3.404884 -1.577215 0.601729
C 2.562459 -2.238485 1.510262
C 0.681084 -1.140538 0.580685
C -3.575179 -0.271582 0.329216
C -5.731498 0.686831 -0.399137
C 3.097026 -3.214697 2.534165
C -4.984915 -0.166013 0.443193
C -2.903965 0.500076 -0.657847
C -1.561681 -1.463558 1.346080
C -5.050585 1.454217 -1.380362
C -3.649430 1.350502 -1.496426
C -7.225937 0.739354 -0.213588
H 5.264507 1.958575 -0.566496
H 5.541320 0.588422 0.534713
H 6.802919 1.770622 -2.673607
H 7.489703 2.938065 -1.521267
H 9.063189 0.707826 0.107852
H 7.706346 0.114005 1.073232
H 5.336551 -1.033313 -1.350906
H 5.164545 0.287294 -2.516022
H 9.751171 1.794261 -1.720454
H 9.021715 0.546873 -2.776665
H 9.124836 2.252989 -3.323381
H 8.685847 2.157114 2.130333
H 7.020594 2.524818 1.596255
H 8.418625 3.116479 0.649302
H 2.913929 0.623825 -1.873601
H 4.482017 -1.753938 0.615163
H 4.194885 -3.298427 2.479985
H 2.815561 -2.895404 3.553993
H 2.659251 -4.216902 2.373539
H -5.522204 -0.752651 1.196181
H -3.544415 -1.634690 1.878858
H -1.817612 0.408445 -0.736899
H -3.128957 1.942977 -2.254113
H -1.924863 -2.803002 2.946051
H -0.197570 -2.555806 2.363959


