%chk=000001371.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001371

0 1
 S   -2.225300     -0.2275000       1.450200    
 O   -1.826900     -9.2000002E-03   2.825500    
 O   -3.512200     -0.8116000       1.133300    
 O    1.944000      -2.758900      -1.665300    
 O   -1.021100      -3.900600      0.1408000    
 O   -3.566200      -4.616400     -0.4358000    
 O   -1.839200       4.936300      -1.371200    
 N   -1.000200      -1.104200      0.6432000    
 N    1.363900      -1.452600      0.1753000    
 N   -3.092900      -3.325800     -0.7095000    
 C   -1.349300      -1.690600     -0.6767000    
 C   0.3699000     -0.5450000      0.7277000    
 C  -0.1972000      -1.683100      -1.675200    
 C    1.144200      -2.043900      -1.064000    
 C    2.625500      -1.604200      0.8801000    
 C   -1.786800      -3.086700     -0.3713000    
 C   -2.110000       1.318900      0.6052000    
 C    3.602900     -0.5223000      0.5218000    
 C   -1.257000       2.295200       1.092600    
 C   -2.874300       1.529300     -0.5304000    
 C    4.473600     -0.7081000     -0.5456000    
 C    3.627500      0.6545000       1.261000    
 C   -1.165800       3.516800      0.4255000    
 C   -2.783100       2.750800      -1.197600    
 C   -1.928900       3.744600     -0.7197000    
 C    5.382000      0.2969000     -0.8783000    
 C    4.535600       1.659600      0.9283000    
 C    5.412900       1.480700     -0.1413000    
 C  -0.9456000       5.907300     -0.8287000    
 H   -2.171200      -1.138000      -1.141300    
 H   0.4514000      0.3833000      0.1553000    
 H   0.6131000     -0.3509000       1.776900    
 H  -0.4002000      -2.375700      -2.500700    
 H  -8.6999997E-02 -0.6807000      -2.108600    
 H    3.057200      -2.580400      0.6251000    
 H    2.439500      -1.632600       1.960500    
 H  -0.6524000       2.136400       1.980500    
 H   -3.549300      0.7728000     -0.9180000    
 H   -3.765700      -2.647800      -1.049500    
 H    4.462900      -1.626100      -1.126100    
 H    2.950000      0.8051000       2.096800    
 H  -0.4818000       4.243800      0.8501000    
 H   -3.380500       2.923000      -2.088800    
 H    6.065500      0.1574000      -1.710700    
 H    4.559700       2.581400       1.502100    
 H    6.120100       2.263200     -0.4002000    
 H   -4.474400      -4.412900     -0.1551000    
 H   9.2200004E-02   5.557700     -0.8543000    
 H   -1.000700       6.792000      -1.471500    
 H   -1.253300       6.221300      0.1744000    


%chk=000001371-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001371

0 1
S -1.501347 0.397675 1.521369
O -0.443777 0.974405 2.615735
O -2.789906 -0.509824 1.952279
O 1.926530 -2.882978 -2.064271
O -2.148966 -3.032367 -2.002567
O -3.425087 -3.843582 0.174302
O -3.729019 4.996102 -1.706478
N -0.481313 -0.802635 0.435832
N 1.692958 -1.532811 -0.167536
N -2.536201 -2.718844 0.230967
C -1.056350 -1.082105 -0.924262
C 0.965748 -0.406463 0.409317
C 0.085261 -1.231616 -1.979668
C 1.314501 -1.971868 -1.438574
C 2.733482 -2.239902 0.617436
C -1.936542 -2.352706 -0.931380
C -2.162934 1.834385 0.509211
C 3.986949 -1.400838 0.835147
C -1.377984 2.996077 0.423221
C -3.431695 1.709798 -0.095333
C 4.798842 -1.035847 -0.270741
C 4.359292 -0.975800 2.133623
C -1.873824 4.088394 -0.318963
C -3.919712 2.799276 -0.834627
C -3.142988 3.985470 -0.952680
C 5.961020 -0.258986 -0.077592
C 5.524427 -0.197623 2.329438
C 6.327051 0.163221 1.223887
C -3.001562 6.264558 -1.858872
H -1.705128 -0.243892 -1.264416
H 1.138232 0.516048 -0.187368
H 1.296750 -0.220962 1.441693
H -0.311977 -1.806152 -2.830916
H 0.391065 -0.232317 -2.343968
H 2.966275 -3.151955 0.038806
H 2.294894 -2.542726 1.586762
H -0.420344 3.060251 0.950684
H -4.027762 0.801808 0.040716
H -2.594007 -2.179755 1.112418
H 4.518960 -1.374103 -1.275910
H 3.740958 -1.257785 2.995397
H -1.279231 5.003186 -0.386220
H -4.898187 2.762339 -1.321085
H 6.586098 0.011596 -0.936098
H 5.803777 0.123515 3.339089
H 7.231504 0.763515 1.373431
H -3.325802 -4.123016 -0.794491
H -2.033969 6.109233 -2.372386
H -3.655861 6.892174 -2.479710
H -2.838000 6.748933 -0.877850


