%chk=000132917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132917

0 1
 S    6.808200      0.5626000      0.2528000    
 O  -0.5192000      -2.921200     -0.3220000    
 O   -4.585400     -0.4219000      -1.294000    
 O    3.452900       1.837700     -0.4537000    
 O    4.079300       1.493600       1.696500    
 N   -3.846700     -0.4788000      0.8428000    
 C    4.738100      -1.249800      0.5747000    
 C    3.345900      -1.715400      0.3010000    
 C    1.012200      -1.812400      0.9146000    
 C    5.062800      0.1150000     -6.1999999E-02
 C   0.7973000      -2.583100     -0.2235000    
 C    2.317200      -1.365800       1.186600    
 C   -1.149000      -2.370300      0.7483000    
 C   -2.595400      -2.611600      0.8441000    
 C  -0.2571000      -1.680900       1.536900    
 C    3.088900      -2.491900     -0.8318000    
 C    1.798900      -2.946600      -1.121900    
 C   -3.441300      -1.560200      0.1492000    
 C    6.832200       2.123800     -0.6536000    
 C   -3.860900      -1.563100      -1.126400    
 C    4.178400       1.210300      0.5095000    
 C    8.212300       2.766700     -0.5739000    
 C   -4.530300      0.1726000     -7.0699997E-02
 C   -3.727400      -2.446200      -2.290000    
 C   -5.229400       1.423400      3.3599999E-02
 C    8.248600       4.082500      -1.337500    
 C   -5.902100       1.946800      -1.074500    
 C   -5.240800       2.125000       1.242500    
 C   -6.580300       3.161600     -0.9743000    
 C   -5.919100       3.339700       1.342500    
 C   -6.588900       3.857900      0.2341000    
 H    4.890600      -1.210800       1.662700    
 H    5.443900      -2.009000      0.2101000    
 H    4.917100      5.4000001E-02  -1.147000    
 H    2.514900     -0.7709000       2.073100    
 H   -2.839800      -3.598500      0.4310000    
 H   -2.891100      -2.648500       1.900400    
 H  -0.4902000      -1.147800       2.448000    
 H    3.897600      -2.752800      -1.511100    
 H    1.591500      -3.548300      -1.998700    
 H    6.567000       1.935800      -1.699400    
 H    6.099300       2.816400     -0.2290000    
 H    8.971500       2.095900     -0.9942000    
 H    8.485300       2.959000      0.4710000    
 H   -3.886100      -3.490800      -2.005200    
 H   -4.456700      -2.196500      -3.067000    
 H   -2.726100      -2.357900      -2.722800    
 H    7.527700       4.795800     -0.9252000    
 H    9.244900       4.530800      -1.272300    
 H    8.014000       3.928800      -2.395700    
 H   -5.919200       1.435200      -2.033600    
 H   -4.725800       1.741100       2.120100    
 H    2.869200       2.530700     -7.7600002E-02
 H   -7.101900       3.565700      -1.837000    
 H   -5.925900       3.882300       2.283300    
 H   -7.117000       4.803800      0.3120000    


%chk=000132917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132917

0 1
S 6.932493 0.644519 0.430374
O -0.602774 -2.712179 -0.441877
O -4.595034 -0.384158 -1.462124
O 4.122296 2.488496 0.559016
O 4.020707 1.101539 2.420504
N -4.147980 -0.523337 0.775553
C 4.782510 -1.191606 0.730530
C 3.355300 -1.624702 0.405950
C 1.003060 -1.865351 1.007285
C 5.049547 0.274481 0.319451
C 0.764658 -2.388986 -0.296873
C 2.319684 -1.481104 1.359633
C -1.218039 -2.372269 0.804161
C -2.698339 -2.613460 0.876443
C -0.284364 -1.868276 1.686092
C 3.067499 -2.157885 -0.888928
C 1.763919 -2.552063 -1.264490
C -3.519974 -1.601905 0.108428
C 7.063931 2.000715 -0.897508
C -3.781884 -1.529446 -1.252839
C 4.350986 1.271450 1.226301
C 8.468347 2.627566 -0.852639
C -4.775080 0.180178 -0.167405
C -3.408248 -2.337864 -2.448011
C -5.582498 1.389210 -0.040728
C 8.633371 3.715770 -1.938785
C -6.187998 1.994138 -1.176159
C -5.764389 1.970303 1.245115
C -6.963072 3.162101 -1.023462
C -6.540338 3.137264 1.388190
C -7.142912 3.738404 0.256325
H 4.986005 -1.294550 1.811461
H 5.506695 -1.826808 0.189789
H 4.762581 0.457697 -0.728938
H 2.544085 -1.065434 2.347373
H -2.916220 -3.636033 0.514042
H -3.008630 -2.563242 1.933158
H -0.493263 -1.528423 2.698477
H 3.887156 -2.273868 -1.608369
H 1.546641 -2.966061 -2.252943
H 6.864666 1.533735 -1.878736
H 6.280512 2.746317 -0.681227
H 9.235088 1.841231 -0.995325
H 8.641504 3.066306 0.148572
H -2.699808 -3.128824 -2.155778
H -4.293936 -2.803456 -2.919091
H -2.914761 -1.710331 -3.212376
H 7.891223 4.525190 -1.808251
H 9.640317 4.168024 -1.890548
H 8.499799 3.293397 -2.952143
H -6.046183 1.545260 -2.164256
H -5.291718 1.493849 2.109977
H 3.697340 3.128013 1.193315
H -7.427394 3.623861 -1.901821
H -6.676653 3.580110 2.380940
H -7.745829 4.645997 0.370980


