%chk=000183104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183104

0 1
Br 4.410444 -1.227576 -0.636761
Cl -3.367527 -0.918722 1.783552
O -2.760904 -1.393484 -1.000675
C 0.283795 0.003112 0.082160
C 1.618708 -0.854072 0.233278
C -0.812243 -0.612328 0.990201
C -0.236044 -0.060136 -1.380092
C 2.688142 -0.214575 -0.693455
C 0.626215 1.446487 0.447119
C -2.659627 0.004409 -0.673108
C -2.186807 0.020234 0.797637
C -1.576799 0.656126 -1.559819
C 2.988326 1.243480 -0.363793
C 1.698570 2.074007 -0.413152
C 2.080090 -0.838153 1.698205
C 1.388110 -2.309820 -0.203341
C -4.017939 0.680918 -0.850211
C 0.082606 2.140343 1.448775
H -0.516552 -0.548767 2.055755
H -0.887483 -1.704047 0.760866
H -0.372541 -1.125964 -1.667759
H 0.507902 0.358326 -2.082101
H 2.375922 -0.316876 -1.757950
H -2.213818 1.063926 1.193871
H -1.482661 1.730001 -1.309699
H -1.881999 0.614389 -2.621214
H 3.733898 1.660284 -1.070104
H 3.450756 1.330938 0.642038
H 1.334917 2.167748 -1.457084
H 1.917235 3.110846 -0.087538
H 3.037992 -1.355808 1.831791
H 2.206450 0.181444 2.080405
H 1.360891 -1.344351 2.352504
H 2.201786 -2.966593 0.130026
H 0.459871 -2.715727 0.225926
H 1.315030 -2.419143 -1.290096
H -4.026608 1.700766 -0.450006
H -4.316662 0.743346 -1.901234
H -4.806022 0.123882 -0.320738
H -0.672956 1.762036 2.120168
H 0.362475 3.155496 1.686802
H -3.311441 -1.535405 -1.790848


%chk=000183104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183104

0 1
Br 4.544136 -1.200336 -0.589624
Cl -3.489097 -0.916322 1.814475
O -2.800286 -1.391931 -1.216788
C 0.280758 0.026930 0.050668
C 1.637840 -0.871923 0.221504
C -0.851767 -0.571112 0.952676
C -0.239354 -0.039234 -1.427550
C 2.732261 -0.181060 -0.651727
C 0.635439 1.480375 0.440376
C -2.714016 0.010339 -0.756680
C -2.230441 0.059334 0.709471
C -1.599816 0.658174 -1.618528
C 3.034882 1.281034 -0.308227
C 1.728384 2.124047 -0.399923
C 2.050841 -0.923940 1.716970
C 1.435626 -2.326087 -0.285323
C -4.063738 0.720851 -0.966271
C 0.124695 2.152706 1.506925
H -0.598259 -0.471163 2.021252
H -0.945624 -1.648031 0.734816
H -0.370193 -1.097923 -1.707785
H 0.487367 0.399542 -2.133786
H 2.489846 -0.293133 -1.721669
H -2.316806 1.082840 1.101144
H -1.533314 1.734330 -1.367116
H -1.913666 0.579949 -2.675929
H 3.795646 1.679459 -1.002449
H 3.449750 1.349792 0.713126
H 1.424104 2.205357 -1.462108
H 1.933505 3.149811 -0.045001
H 3.063156 -1.353452 1.812795
H 2.048261 0.072562 2.190892
H 1.362385 -1.573140 2.285804
H 2.318250 -2.931561 -0.017333
H 0.554492 -2.804452 0.174406
H 1.321668 -2.378872 -1.382395
H -4.000235 1.791814 -0.698370
H -4.353265 0.642106 -2.028390
H -4.856862 0.259997 -0.351650
H -0.605395 1.722492 2.198900
H 0.456658 3.172317 1.737685
H -3.404319 -1.871488 -0.588962


