%chk=000290739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290739

0 1
Br -1.533151 -2.601265 -1.475133
O 3.902782 2.632720 0.413901
O 3.345304 -2.263345 1.437412
O 1.402401 -3.186863 2.046851
N -0.681979 0.027468 -1.246590
C 0.399131 0.847644 -0.841001
C 1.472932 -0.017049 -0.439826
C 1.013042 -1.373646 -0.588014
C -0.297179 -1.295079 -1.054433
C -2.013699 0.524273 -1.640026
C 1.798172 -2.598863 -0.318637
C 2.694701 0.530045 0.001987
C 0.532706 2.254549 -0.811788
C -3.018683 0.433311 -0.513552
C 2.796064 1.909507 0.018047
C 1.730168 2.780295 -0.383956
C -2.740787 1.012272 0.732685
C -4.243906 -0.213137 -0.727603
C 2.074056 -2.733860 1.155121
C -3.687834 0.946268 1.757956
C -5.189373 -0.271468 0.300381
C -4.913653 0.307716 1.542971
C 5.067874 1.889134 0.845299
H -2.362614 -0.036923 -2.541688
H -1.915272 1.588919 -1.966911
H 2.758297 -2.566376 -0.888351
H 1.257000 -3.510464 -0.667208
H 3.491482 -0.138153 0.319485
H -0.289615 2.896703 -1.117791
H 1.902404 3.854464 -0.335612
H -1.781949 1.500971 0.908328
H -4.460934 -0.677428 -1.687759
H -3.467497 1.390223 2.727974
H -6.140693 -0.774283 0.133529
H -5.649561 0.257285 2.343504
H 5.771448 2.695002 1.089712
H 5.447167 1.269628 0.027316
H 4.830217 1.291565 1.730111
H 3.567332 -2.323457 2.402906


%chk=000290739-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290739

0 1
Br -1.294298 -2.954562 -1.377142
O 3.871744 2.792826 0.320083
O 3.508230 -2.242983 1.600464
O 1.518464 -3.352515 2.052101
N -0.672403 -0.120878 -1.162125
C 0.372158 0.759765 -0.809435
C 1.509615 -0.026492 -0.427765
C 1.136860 -1.424507 -0.545823
C -0.188386 -1.427178 -0.985876
C -2.012052 0.280253 -1.603011
C 2.015620 -2.620623 -0.270934
C 2.717677 0.612052 -0.032868
C 0.409401 2.172848 -0.802099
C -3.066393 0.343422 -0.493690
C 2.749760 2.020917 -0.040358
C 1.608199 2.793892 -0.418084
C -2.711908 0.401202 0.874455
C -4.436918 0.372364 -0.853985
C 2.270541 -2.803243 1.222378
C -3.714239 0.490702 1.867674
C -5.438613 0.465714 0.136810
C -5.079337 0.525910 1.503762
C 5.081252 2.068443 0.708511
H -2.348345 -0.416612 -2.392454
H -1.911572 1.271645 -2.084302
H 2.987162 -2.512414 -0.783883
H 1.523789 -3.539455 -0.632894
H 3.574825 0.009354 0.277485
H -0.460720 2.779202 -1.073052
H 1.696666 3.883901 -0.392662
H -1.656699 0.368465 1.166309
H -4.723744 0.315016 -1.912328
H -3.427197 0.529039 2.924412
H -6.494625 0.483706 -0.155352
H -5.854640 0.592882 2.274984
H 5.824224 2.846625 0.937927
H 5.451352 1.429350 -0.117433
H 4.907067 1.441968 1.605747
H 3.623785 -2.351698 2.584049


