%chk=000194607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194607

0 1
Br 6.232869 -2.971517 0.588549
O 8.187779 0.346469 -0.515624
N 6.241990 -0.008872 0.633763
C -1.784731 0.351633 0.440123
C -0.560609 0.791953 -0.374058
C -3.075832 0.468481 -0.381292
C 0.730673 0.674713 0.447043
C -4.300243 0.028528 0.432682
C -5.591252 0.145206 -0.388899
C 1.954048 1.115783 -0.367705
C -6.815918 -0.294561 0.424813
C 3.245996 0.998248 0.452694
C -8.106561 -0.177877 -0.396912
C 4.466503 1.440400 -0.363704
C -9.332613 -0.617472 0.415825
C 5.771538 1.388655 0.443058
C -10.620200 -0.503325 -0.397357
C 7.436998 -0.418853 0.068489
C 7.802554 -1.876889 0.259165
H -1.866674 0.964593 1.358390
H -1.652033 -0.691855 0.785305
H -0.694230 1.835406 -0.719225
H -0.479846 0.179216 -1.292690
H -2.994668 -0.144634 -1.299551
H -3.209142 1.511789 -0.726854
H 0.863059 -0.369121 0.791344
H 0.648478 1.287223 1.365655
H -4.382101 0.641730 1.350765
H -4.167487 -1.014811 0.778240
H 2.034423 0.503519 -1.286978
H 1.819459 2.159318 -0.712632
H -5.724484 1.188432 -0.734668
H -5.509944 -0.468048 -1.307019
H -6.897631 0.318787 1.342799
H -6.683021 -1.337840 0.770471
H 3.163744 1.610690 1.371665
H 3.375517 -0.046480 0.794706
H -8.026572 -0.790690 -1.315237
H -8.241025 0.864793 -0.743339
H 4.561570 0.816075 -1.275217
H 4.317518 2.475610 -0.731833
H -9.415149 -0.003570 1.334010
H -9.200392 -1.661484 0.761236
H 6.566915 1.974093 -0.082683
H 5.640224 1.855728 1.444469
H -10.586902 -1.129784 -1.295948
H -11.489206 -0.819001 0.190570
H -10.801519 0.527080 -0.723560
H 5.585001 -0.631294 1.094980
H 8.506452 -1.995628 1.105780
H 8.317379 -2.258249 -0.646707


%chk=000194607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194607

0 1
Br 6.610086 -2.888706 1.742679
O 8.084899 0.122267 -0.838069
N 6.323876 0.114733 0.703660
C -1.755317 0.239556 0.338796
C -0.524529 0.789262 -0.416800
C -3.083319 0.431932 -0.427674
C 0.800741 0.600021 0.355149
C -4.317567 -0.075521 0.351654
C -5.647942 0.115173 -0.411166
C 2.027408 1.181599 -0.382798
C -6.884173 -0.354055 0.389056
C 3.350470 1.002047 0.395543
C -8.216586 -0.166778 -0.371062
C 4.570500 1.595529 -0.344441
C -9.453060 -0.614397 0.441965
C 5.895173 1.502869 0.447602
C -10.780616 -0.424709 -0.323357
C 7.370733 -0.462013 0.038791
C 7.748451 -1.912563 0.352236
H -1.828927 0.739691 1.327500
H -1.605972 -0.840411 0.548390
H -0.676386 1.869468 -0.623871
H -0.447731 0.291605 -1.406228
H -3.023510 -0.092846 -1.404218
H -3.217663 1.508889 -0.662132
H 0.963935 -0.481831 0.543640
H 0.713559 1.079176 1.353079
H -4.376034 0.454375 1.325724
H -4.183625 -1.151148 0.591942
H 2.120294 0.700478 -1.378694
H 1.860645 2.262334 -0.574413
H -5.768666 1.187162 -0.674055
H -5.602151 -0.436653 -1.373459
H -6.929621 0.202440 1.348872
H -6.762774 -1.424622 0.657294
H 3.255451 1.482928 1.392597
H 3.512466 -0.080646 0.580124
H -8.180299 -0.735845 -1.323763
H -8.332317 0.901128 -0.652298
H 4.700900 1.093430 -1.322990
H 4.381015 2.667098 -0.558956
H -9.488092 -0.043962 1.392742
H -9.336189 -1.680812 0.724245
H 6.712332 1.985263 -0.116266
H 5.789717 2.023276 1.419844
H -10.783164 -1.008692 -1.263243
H -11.647843 -0.751640 0.279639
H -10.935675 0.637957 -0.590054
H 5.810465 -0.453062 1.383093
H 8.776129 -1.949248 0.743041
H 7.671207 -2.519233 -0.561991


