%chk=000128661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000128661

0 1
Cl -4.659793 -3.141246 1.025380
S 0.223376 -0.519710 0.863058
O 0.920538 -2.026610 0.264033
O -0.055675 -1.378870 2.391043
O 5.957613 -3.426739 -0.807846
O 5.693047 -2.017480 0.908573
N -0.373057 1.123989 1.433152
N 0.591944 0.056855 -1.087714
C -0.745246 0.661118 -1.482913
C -1.779062 -0.310298 -0.943636
C -0.906982 1.997086 -0.807617
C -1.441991 -0.959393 0.252302
C -0.755499 2.164240 0.606209
C 1.762276 0.988393 -1.253706
C -3.020676 -0.546605 -1.535604
C -1.246580 3.093420 -1.614539
C 3.004734 0.261762 -1.785610
C -2.309847 -1.827919 0.890736
C -0.975594 3.481253 1.130950
C -0.441854 1.321102 2.898266
C 3.599368 -0.708242 -0.759637
C -3.915665 -1.432846 -0.919645
C -3.550011 -2.055161 0.276109
C -1.448629 4.358511 -1.080960
C -1.313110 4.537418 0.307866
C 4.827162 -1.430076 -1.324589
C 5.497663 -2.245699 -0.260490
H -0.829893 0.760487 -2.594246
H 0.765037 -0.828248 -1.614641
H 1.503721 1.835661 -1.929150
H 1.973526 1.454735 -0.261811
H -3.303744 -0.040690 -2.456930
H 2.767587 -0.275165 -2.725432
H 3.762485 1.023445 -2.064955
H -1.359847 2.946390 -2.689551
H -2.040296 -2.302963 1.841919
H -0.874938 3.655809 2.198203
H -0.401224 0.340612 3.416315
H -1.387431 1.796141 3.209467
H 0.398779 1.934444 3.260502
H 3.873774 -0.166535 0.169558
H 2.832072 -1.457930 -0.441709
H -4.890666 -1.628482 -1.367455
H -1.712676 5.195772 -1.716020
H -1.476794 5.527221 0.735605
H 0.484303 -2.841046 0.513763
H 0.771473 -1.760091 2.709771
H 4.545109 -2.077416 -2.184566
H 5.566036 -0.702706 -1.727773
H 6.419756 -4.005098 -0.145635


%chk=000128661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128661

0 1
Cl -4.839129 -3.100475 1.221763
S 0.301870 -0.815558 0.647532
O 0.755583 -2.459010 -0.628989
O -0.022285 -1.814711 2.323452
O 6.587903 -2.691667 -0.042178
O 4.879929 -2.079259 1.404566
N -0.233959 1.070406 1.366667
N 0.454440 0.053793 -1.402908
C -0.886641 0.700920 -1.558386
C -1.897273 -0.271421 -0.968648
C -0.940640 2.039514 -0.828771
C -1.491559 -1.040692 0.141227
C -0.633450 2.147717 0.582524
C 1.647145 0.898238 -1.686106
C -3.231486 -0.393317 -1.412563
C -1.334233 3.181294 -1.561605
C 2.928523 0.076562 -1.935180
C -2.355142 -1.895329 0.841834
C -0.762301 3.457549 1.168809
C 0.072174 1.246629 2.788337
C 3.456797 -0.680472 -0.695742
C -4.131233 -1.259841 -0.753203
C -3.675566 -1.991167 0.363081
C -1.456473 4.453852 -0.965706
C -1.165298 4.572778 0.413711
C 4.830548 -1.323199 -0.959892
C 5.379264 -2.039846 0.258657
H -1.101215 0.877267 -2.632256
H 0.512182 -0.928126 -1.763125
H 1.427106 1.524873 -2.575821
H 1.789800 1.591578 -0.836695
H -3.576074 0.199167 -2.267234
H 2.756093 -0.638306 -2.766100
H 3.699330 0.790802 -2.290716
H -1.553199 3.061876 -2.631648
H -1.997733 -2.437415 1.719956
H -0.543360 3.592479 2.231002
H 0.291796 0.257492 3.224577
H -0.801288 1.654441 3.337713
H 0.935731 1.925045 2.960840
H 3.539523 0.016265 0.161060
H 2.743788 -1.475578 -0.411300
H -5.164736 -1.361432 -1.095134
H -1.763869 5.322837 -1.555417
H -1.249209 5.547235 0.910064
H 0.170204 -3.222760 -0.375381
H 0.888059 -2.165071 2.535019
H 4.777812 -2.055914 -1.788532
H 5.582219 -0.569801 -1.271637
H 6.924129 -3.147641 0.776881


