%chk=000077525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077525

0 1
 S  -0.5455000      -2.148600      -1.477400    
 O   -4.750400       1.311000      0.8774000    
 N  -5.2900001E-02  7.4000001E-02  0.6396000    
 N    2.451500       2.260200     -0.5947000    
 C   0.3038000       1.341900       1.289700    
 C   0.1551000       2.501300      0.3028000    
 C   -1.397900     -9.0000004E-02  0.2219000    
 C   0.9576000     -0.9156000      0.5407000    
 C    1.037200       2.346000     -0.9380000    
 C   -1.751300      -1.080200     -0.7160000    
 C   0.8376000      -1.987900     -0.3655000    
 C   -2.445300      0.6986000      0.7466000    
 C    2.105900     -0.8967000       1.362500    
 C   -3.087900      -1.243900      -1.121000    
 C    1.838900      -2.971200     -0.4537000    
 C   -3.772800      0.5284000      0.3442000    
 C    2.890600       3.477500      8.9900002E-02
 C    3.260400       2.032500      -1.793500    
 C    3.095600      -1.879500       1.274200    
 C   -4.094000     -0.4417000     -0.5929000    
 C    2.963500      -2.916100      0.3630000    
 H  -0.3078000       1.507400       2.184500    
 H    1.323800       1.402700       1.668100    
 H  -0.8774000       2.607300     -4.5299999E-02
 H   0.3576000       3.444900      0.8221000    
 H   0.8514000       3.196900      -1.607500    
 H   0.7298000       1.451900      -1.493700    
 H   -2.256000       1.455600       1.502500    
 H    2.259600     -0.1623000       2.145800    
 H   -3.359900      -2.000800      -1.853900    
 H    1.752200      -3.793600      -1.161100    
 H    2.465700       3.562400       1.094400    
 H    2.652800       4.384900     -0.4773000    
 H    3.976700       3.455800      0.2424000    
 H    3.172200       2.853300      -2.514500    
 H    2.959200       1.102700      -2.289000    
 H    4.317300       1.916100      -1.528900    
 H    3.961000      -1.838000       1.929400    
 H   -5.122100     -0.5823000     -0.9138000    
 H    3.728900      -3.682700      0.2911000    
 H   -4.351300       1.932100       1.510300    


%chk=000077525-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077525

0 1
S -0.307628 -1.720330 -1.877492
O -4.802334 0.978721 1.131886
N 0.036305 0.115564 0.536404
N 2.489374 2.637549 -0.629583
C 0.429948 1.380056 1.203547
C 0.155656 2.618661 0.318814
C -1.327190 -0.090139 0.172483
C 0.940361 -0.994058 0.534853
C 1.040236 2.612439 -0.948762
C -1.663388 -0.983201 -0.882101
C 0.873223 -1.975656 -0.493441
C -2.383618 0.563299 0.863258
C 1.913634 -1.166101 1.556569
C -3.008839 -1.231666 -1.218098
C 1.737794 -3.087412 -0.502430
C -3.727531 0.336518 0.487405
C 2.970446 3.974412 -0.228557
C 3.322854 2.047597 -1.697921
C 2.807954 -2.257894 1.526194
C -4.055306 -0.563270 -0.549428
C 2.725240 -3.225444 0.500156
H -0.052691 1.487264 2.198728
H 1.521388 1.348322 1.355016
H -0.906221 2.663341 0.013054
H 0.351444 3.524391 0.925689
H 0.747580 3.468172 -1.608374
H 0.829465 1.683841 -1.510989
H -2.155776 1.235113 1.698657
H 1.967246 -0.451428 2.383066
H -3.239565 -1.936775 -2.023141
H 1.647517 -3.832247 -1.300281
H 2.392982 4.349529 0.634597
H 2.891808 4.732279 -1.049872
H 4.030071 3.912404 0.078492
H 3.291284 2.623574 -2.657293
H 2.985707 1.016611 -1.903321
H 4.375698 2.002505 -1.364466
H 3.557997 -2.359382 2.318226
H -5.103274 -0.724322 -0.814049
H 3.410776 -4.078807 0.481373
H -4.477228 1.580271 1.846534


