%chk=000279828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279828

0 1
Br 6.224411 5.371497 -0.431652
S 0.452739 -1.043661 0.676276
O -2.569608 0.184101 -2.114835
O -1.396867 -3.814481 0.381235
O -5.510141 1.410452 2.214808
O -4.725108 3.382419 1.496068
O 3.291026 -0.704813 0.777853
O 2.010157 -3.017805 0.342362
O 3.010904 -4.898081 1.084655
N -2.403062 -1.563920 -0.662866
N 0.264699 -4.109731 -1.182682
N -6.685076 3.027258 -0.638710
C -1.135619 -2.042386 -1.258216
C -4.825468 1.310122 -0.954968
C -4.287468 -0.015082 -0.411369
C 0.006121 -1.034293 -1.086236
C -5.947524 1.878709 -0.063541
C -3.024847 -0.412517 -1.150411
C -0.776331 -3.380513 -0.569911
C -5.330490 2.371881 1.244398
C 1.266315 0.552531 0.900477
C 1.014110 -5.053318 -0.327393
C 2.751589 0.381193 0.718992
C 3.555619 1.614518 0.456590
C 2.131457 -4.369179 0.449753
C 3.105734 2.895705 0.807700
C 4.814929 1.458829 -0.146899
C 3.899479 4.015773 0.547219
C 5.613123 2.573285 -0.416866
C 5.143063 3.840862 -0.066771
H -1.308006 -2.205420 -2.362731
H -3.995270 2.042780 -1.062328
H -5.199727 1.162141 -1.989441
H -4.094584 0.062259 0.682394
H -5.052668 -0.814816 -0.513640
H 0.883994 -1.299592 -1.702804
H -0.326467 -0.028957 -1.427819
H -6.700468 1.072043 0.170582
H -2.682158 -2.015287 0.216099
H 0.864356 -3.618288 -1.850718
H 0.842635 1.330476 0.236194
H 1.043239 0.889348 1.938836
H -6.065722 3.812616 -0.832274
H -7.145010 2.767208 -1.506213
H 1.438114 -5.870649 -0.957565
H 0.316784 -5.547531 0.402704
H -5.153450 1.682342 3.102258
H 2.139342 3.034568 1.294179
H 5.169570 0.453490 -0.398693
H 3.547447 5.011876 0.822996
H 6.589288 2.446489 -0.889540
H 2.719692 -2.483452 0.851662


%chk=000279828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279828

0 1
Br 7.352827 5.077502 -0.026704
S 0.373300 -0.519579 0.745893
O -2.906328 0.042255 -2.183498
O -1.442459 -3.526965 0.850532
O -7.033310 0.298858 1.591904
O -6.477010 2.473921 2.180343
O 3.468462 -0.675388 0.106711
O 2.464305 -3.025924 -0.452808
O 2.858865 -4.273796 1.482493
N -2.520842 -1.467785 -0.470075
N 0.090612 -4.022838 -0.844965
N -6.689932 3.194040 -0.515506
C -1.285775 -1.982521 -1.056649
C -4.884166 1.398069 -0.531800
C -4.569521 -0.104668 -0.365814
C -0.122580 -0.947164 -1.041231
C -6.362768 1.798595 -0.195018
C -3.269866 -0.487357 -1.081452
C -0.901525 -3.260247 -0.266583
C -6.626689 1.603405 1.294227
C 1.575886 0.881099 0.410921
C 0.976379 -4.855624 -0.019401
C 3.054582 0.517692 0.218537
C 4.046099 1.638446 0.166484
C 2.204289 -4.041146 0.445702
C 3.664870 3.008750 0.189827
C 5.428614 1.310082 0.085535
C 4.637131 4.027396 0.130690
C 6.409601 2.316569 0.030782
C 6.001206 3.669878 0.052858
H -1.462684 -2.222589 -2.125244
H -4.195529 2.011837 0.080717
H -4.703143 1.665050 -1.590133
H -4.529654 -0.396607 0.699052
H -5.389473 -0.698130 -0.819960
H 0.764636 -1.358693 -1.550982
H -0.472516 -0.029613 -1.541511
H -7.033374 1.114354 -0.748522
H -2.787391 -1.895921 0.425600
H 0.524096 -3.652919 -1.694825
H 1.218306 1.443815 -0.472946
H 1.484074 1.558802 1.278520
H -6.434488 3.858651 0.221209
H -6.419869 3.488605 -1.456519
H 1.312009 -5.745512 -0.580460
H 0.426957 -5.192651 0.872833
H -7.165967 0.211251 2.575626
H 2.611565 3.299830 0.247816
H 5.714267 0.253741 0.069941
H 4.340491 5.079563 0.145279
H 7.470125 2.057366 -0.027227
H 2.982100 -2.222786 -0.100999


