%chk=000281441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281441

0 1
Br 2.929721 -7.306648 0.339742
Cl 5.153455 5.648468 0.490892
S 2.275272 0.397312 -1.154258
O 0.969881 0.736070 -1.709166
O 3.178595 -0.466554 -1.886055
O -2.737728 3.663510 0.002849
O -0.916586 2.515772 0.125142
O -7.241307 -0.488096 0.677191
O -7.046988 1.660042 0.497063
N -0.409590 -1.325139 0.109837
N -0.961488 -0.057458 0.073869
N -2.148197 2.602443 0.084750
N -6.584952 0.531631 0.540572
C 1.920390 -0.410928 0.395790
C 0.881277 -1.479978 0.239614
C 3.077508 1.845889 -0.687270
C 1.367538 -2.887655 0.259613
C 2.321085 2.982578 -0.370055
C 4.477078 1.900023 -0.669707
C 2.348490 -3.298184 -0.657321
C 0.843249 -3.797299 1.190683
C -2.334282 0.066318 0.177421
C 2.959874 4.168008 0.000797
C 5.130179 3.076969 -0.301241
C -2.924542 1.376092 0.167255
C 4.357103 4.195127 0.032127
C 2.811688 -4.615651 -0.636445
C 1.308150 -5.115340 1.217386
C -3.195688 -1.066813 0.352845
C 2.288732 -5.507839 0.303670
C -4.326906 1.511256 0.273481
C -5.128127 0.389194 0.423335
C -4.551704 -0.914996 0.467690
H 1.599417 0.312644 1.178181
H 2.846716 -0.849320 0.833405
H 1.219674 2.957266 -0.418990
H 5.067132 1.020713 -0.956408
H 2.753322 -2.594244 -1.398620
H 0.068048 -3.479945 1.889800
H -0.406436 0.749129 -0.350006
H 2.376871 5.056962 0.252014
H 6.219696 3.128978 -0.282417
H 3.571074 -4.936392 -1.353044
H 0.901861 -5.823108 1.942142
H -2.743300 -2.065404 0.369929
H -4.777753 2.520510 0.243151
H -5.218400 -1.779713 0.589868


%chk=000281441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281441

0 1
Br 2.954994 -7.513151 0.182997
Cl 5.118360 5.997754 0.211122
S 2.362892 0.335006 -1.223381
O 0.952112 0.608886 -2.003404
O 3.548523 -0.602983 -1.853533
O -2.645794 3.721286 0.254694
O -0.780795 2.419322 0.157686
O -7.354810 -0.405906 0.657232
O -7.057978 1.856723 0.522203
N -0.477087 -1.452457 0.307933
N -0.981837 -0.174964 0.282968
N -2.088650 2.562986 0.237871
N -6.608907 0.646272 0.558970
C 1.824107 -0.497497 0.538070
C 0.847521 -1.614820 0.364403
C 3.151051 1.995938 -0.766874
C 1.348670 -3.011200 0.315821
C 2.313126 3.101014 -0.536962
C 4.554893 2.050976 -0.734738
C 2.655668 -3.296602 -0.166737
C 0.521188 -4.088632 0.739353
C -2.346400 0.031393 0.350187
C 2.928373 4.337015 -0.232936
C 5.161319 3.290444 -0.432376
C -2.912916 1.360369 0.319106
C 4.336482 4.407643 -0.180672
C 3.129292 -4.624616 -0.215508
C 0.987768 -5.415889 0.703761
C -3.248679 -1.075566 0.454334
C 2.293953 -5.670243 0.227987
C -4.310500 1.557094 0.387584
C -5.148613 0.442267 0.485999
C -4.625741 -0.881347 0.517816
H 1.423777 0.371763 1.085734
H 2.791180 -0.816826 0.947867
H 1.222478 3.028256 -0.602806
H 5.152854 1.163704 -0.966695
H 3.291656 -2.496469 -0.565944
H -0.487174 -3.874287 1.104518
H -0.418189 0.670994 0.062249
H 2.318280 5.224522 -0.044897
H 6.250089 3.384763 -0.399868
H 4.128472 -4.838029 -0.604695
H 0.351222 -6.237377 1.043998
H -2.815885 -2.077163 0.467142
H -4.722170 2.569258 0.365607
H -5.319074 -1.723423 0.587917


