%chk=000214345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214345

1 1
Br -6.425311 -3.416998 -1.666776
Cl 6.811611 -2.511238 -0.288610
O 1.884072 0.624805 0.120776
N -2.738954 2.012146 0.698353
C -1.731373 0.867718 0.865565
C -4.124934 1.562694 1.204367
C -0.304783 1.256459 0.487217
C -2.825525 2.420858 -0.754892
C -2.314552 3.210499 1.522425
C -4.660060 0.352558 0.490148
C 0.623669 0.033347 0.526834
C -4.435088 -0.929740 1.016333
C -5.440477 0.504641 -0.666496
C 3.002219 -0.202123 0.053226
C 4.174191 0.486238 -0.337422
C 4.151126 1.971716 -0.635498
C -4.961309 -2.053870 0.376187
C -5.967826 -0.617138 -1.310911
C 2.981363 -1.569126 0.336781
C 5.349690 -0.261868 -0.435875
C -5.719475 -1.891863 -0.789481
C 4.544821 2.231495 -2.094444
C 5.068929 2.727053 0.333010
C 4.172740 -2.307506 0.233317
C 5.340775 -1.631418 -0.154233
C 4.209359 -3.765951 0.523445
H -1.763786 0.516189 1.924041
H -2.071941 0.006781 0.235564
H -4.057977 1.367925 2.303298
H -4.838253 2.417849 1.099498
H 0.115326 2.029170 1.168306
H -0.243678 1.700274 -0.531521
H -1.851846 2.787191 -1.135776
H -3.121798 1.567755 -1.398277
H -3.564662 3.227211 -0.911928
H -1.355204 3.636571 1.167615
H -3.059894 4.026854 1.476419
H -2.174215 2.947037 2.587658
H 0.339253 -0.748491 -0.199561
H 0.730524 -0.393782 1.539610
H -3.868645 -1.063342 1.938392
H -5.662058 1.495732 -1.064134
H 3.104834 2.349508 -0.486585
H -4.788782 -3.052295 0.792015
H -6.579133 -0.494466 -2.211550
H 2.073043 -2.079510 0.634204
H 6.282168 0.225277 -0.734439
H 5.581945 1.939258 -2.298496
H 4.457524 3.293891 -2.346441
H 3.909716 1.668466 -2.787093
H 6.121973 2.450515 0.201712
H 5.002285 3.809762 0.180886
H 4.809063 2.517922 1.376545
H 4.920001 -3.993041 1.336909
H 3.237277 -4.179691 0.815330
H 4.559539 -4.338307 -0.352947


%chk=000214345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214345

1 1
Br -6.546421 -3.592404 -1.656803
Cl 6.853154 -2.706960 -0.164364
O 1.943720 0.791523 0.038865
N -2.829838 2.038679 0.691074
C -1.734598 0.948747 0.758649
C -4.185435 1.447272 1.262450
C -0.329262 1.408451 0.341796
C -3.036329 2.509881 -0.743062
C -2.455899 3.231715 1.566014
C -4.723183 0.238171 0.537697
C 0.653520 0.222615 0.402514
C -4.404052 -1.073317 0.982177
C -5.622923 0.386202 -0.552201
C 3.070988 -0.080512 0.008527
C 4.310197 0.526186 -0.332463
C 4.434066 2.019292 -0.647127
C -4.936161 -2.209014 0.337760
C -6.161327 -0.739885 -1.208329
C 2.972903 -1.461529 0.295669
C 5.443421 -0.318962 -0.373323
C -5.806386 -2.033518 -0.762467
C 4.885752 2.248042 -2.114964
C 5.395154 2.728485 0.344289
C 4.111106 -2.306476 0.253945
C 5.336974 -1.691375 -0.087733
C 4.000501 -3.784806 0.560733
H -1.731630 0.592597 1.805361
H -2.088946 0.124291 0.117154
H -3.962713 1.224275 2.320164
H -4.890797 2.294961 1.219718
H 0.062551 2.194975 1.010498
H -0.309965 1.799345 -0.691145
H -2.115907 2.989033 -1.104859
H -3.286851 1.645958 -1.374609
H -3.860323 3.239982 -0.761207
H -1.574886 3.736151 1.145791
H -3.303452 3.933910 1.591711
H -2.232613 2.878597 2.584463
H 0.359386 -0.576009 -0.311865
H 0.691787 -0.214115 1.424057
H -3.755366 -1.219437 1.854601
H -5.931418 1.384886 -0.884421
H 3.432481 2.469925 -0.527874
H -4.691273 -3.213421 0.693651
H -6.857605 -0.614327 -2.041865
H 2.013580 -1.919245 0.557890
H 6.421307 0.099872 -0.630180
H 5.892295 1.827896 -2.295212
H 4.929954 3.329697 -2.339222
H 4.189808 1.773107 -2.829785
H 6.423050 2.329877 0.263453
H 5.439664 3.811531 0.126990
H 5.064457 2.597365 1.390372
H 4.648675 -4.065672 1.410619
H 2.962744 -4.065032 0.808243
H 4.329861 -4.395873 -0.299221


