%chk=000198755.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198755

0 1
Br -2.389394 -4.232234 2.568858
O -3.249484 0.153427 -1.484773
O 0.406036 0.501256 -1.174195
N 1.312029 -0.019921 0.856597
C -1.072329 0.598733 0.781213
C 2.613087 -0.392658 0.329959
C 2.854638 -1.742553 -0.010763
C 3.605836 0.599137 0.176839
C -1.652390 1.957168 0.462262
C 1.752777 -2.785061 0.073694
C 3.310066 2.060808 0.464865
C -1.968408 -0.589148 0.533640
C 0.258654 0.371035 0.027096
C -2.253818 2.259064 -0.770543
C -2.922318 -0.726306 -0.490275
C -2.337120 1.223755 -1.848860
C 4.126652 -2.089835 -0.484631
C 4.864714 0.209519 -0.301672
C -1.575018 2.954379 1.449739
C 2.272759 -4.150256 0.539763
C 1.068600 -2.882998 -1.296203
C 2.882340 2.738115 -0.843517
C 4.502070 2.781715 1.106783
C 5.124473 -1.123380 -0.622311
C -1.832204 -1.664542 1.440077
C -2.772484 3.542188 -1.000937
C -3.744832 -1.881576 -0.581933
C -2.087067 4.231064 1.212353
C -2.687477 4.527089 -0.015531
C -2.624349 -2.798752 1.330382
C -3.598579 -2.915571 0.325291
H -0.860267 0.607955 1.892001
H 0.984265 -2.459130 0.821556
H 2.457201 2.131106 1.188207
H 1.193375 -0.147487 1.857509
H -2.826213 1.584003 -2.775672
H -1.342050 0.788153 -2.099000
H 4.335829 -3.122607 -0.761279
H 5.645011 0.957623 -0.436647
H -1.114182 2.735985 2.412084
H 1.440123 -4.840090 0.721866
H 2.843691 -4.064897 1.470443
H 2.922245 -4.621602 -0.206102
H 0.719625 -1.895284 -1.634758
H 0.201591 -3.550031 -1.261753
H 1.750559 -3.260798 -2.065313
H 3.691515 2.745981 -1.581275
H 2.571338 3.773110 -0.676700
H 2.035708 2.202122 -1.303364
H 4.862591 2.247130 1.992154
H 4.223215 3.794534 1.417576
H 5.345337 2.880206 0.413843
H 6.107694 -1.409586 -0.993417
H -1.092965 -1.595989 2.241264
H -3.246596 3.772068 -1.955024
H -4.482488 -1.927671 -1.384216
H -2.020126 4.995721 1.984982
H -3.089910 5.521546 -0.201737
H -4.225478 -3.806633 0.256407


%chk=000198755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198755

0 1
Br -2.629657 -4.328675 2.663587
O -3.583493 0.256868 -1.361342
O 0.233345 -0.001468 -1.342972
N 1.295388 -0.046941 0.728270
C -1.124686 0.467040 0.701939
C 2.626041 -0.375477 0.245584
C 2.913679 -1.711041 -0.157251
C 3.610483 0.658586 0.212660
C -1.577187 1.902666 0.417051
C 1.859232 -2.822293 -0.147983
C 3.245218 2.108833 0.553260
C -2.162530 -0.656480 0.526723
C 0.186306 0.123707 -0.084798
C -2.237819 2.268735 -0.789009
C -3.243807 -0.706305 -0.403945
C -2.545694 1.217507 -1.829292
C 4.230352 -1.996630 -0.599614
C 4.913676 0.319072 -0.221920
C -1.309162 2.901951 1.383141
C 2.310929 -4.045590 0.692782
C 1.499287 -3.242802 -1.599648
C 2.748615 2.834411 -0.731686
C 4.394436 2.901100 1.220867
C 5.222267 -0.997341 -0.625939
C -2.014826 -1.758081 1.416809
C -2.609613 3.616917 -0.997824
C -4.141245 -1.808486 -0.391986
C -1.672185 4.249980 1.163218
C -2.325090 4.611566 -0.035306
C -2.899750 -2.845616 1.400087
C -3.985228 -2.881742 0.500086
H -0.858367 0.446226 1.775992
H 0.937838 -2.425820 0.315693
H 2.394687 2.097241 1.263592
H 1.180611 0.104679 1.733029
H -3.001206 1.667102 -2.725195
H -1.638528 0.649268 -2.105135
H 4.478139 -3.014661 -0.920623
H 5.691621 1.088709 -0.251864
H -0.817170 2.624132 2.323982
H 1.498805 -4.794496 0.737195
H 2.568884 -3.754331 1.727633
H 3.196141 -4.538429 0.249615
H 1.136127 -2.373595 -2.173944
H 0.706624 -4.013766 -1.588896
H 2.379595 -3.664750 -2.120121
H 3.565547 2.901124 -1.474250
H 2.412549 3.860469 -0.492362
H 1.909838 2.291186 -1.200459
H 4.789465 2.377899 2.110794
H 4.030901 3.896128 1.536913
H 5.234560 3.069822 0.522231
H 6.235575 -1.240979 -0.964689
H -1.195190 -1.744676 2.144062
H -3.129543 3.888004 -1.924371
H -4.961574 -1.798357 -1.115763
H -1.454009 5.007095 1.924238
H -2.616658 5.652021 -0.214705
H -4.684446 -3.722117 0.488759


