%chk=000130222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130222

0 1
 S    4.127500       1.825300      0.4624000    
 O   0.7468000      -1.442000      -1.084000    
 O   -3.625500     -0.4041000     -0.6065000    
 O    4.425300      -2.572900     -6.2600002E-02
 O    3.491200      -1.377200       1.638400    
 O   -2.772900      0.6060000       1.271700    
 N    2.210400      0.1524000     -0.2420000    
 N   -1.424900      5.8499999E-02 -0.5365000    
 C    2.360500       1.399700      0.4943000    
 C    1.499600       2.486400     -0.1398000    
 C    3.451400     -0.5062000     -0.6188000    
 C   6.6600002E-02   1.999700     -0.4045000    
 C  -0.1710000      0.5371000     -1.7600000E-02
 C   0.9498000     -0.3645000     -0.5284000    
 C    4.542400      0.5448000     -0.7542000    
 C    3.772900      -1.504000      0.4561000    
 C   -2.622100      0.1322000      0.1503000    
 C   -4.928900     -0.3932000     -1.3500000E-02
 C   -5.320500       1.055700      0.2731000    
 C   -5.895200      -1.023000      -1.014500    
 C   -4.883300      -1.210600       1.276600    
 H    2.056900       1.224600       1.532500    
 H    1.925900       2.804600      -1.101100    
 H    1.477200       3.377500      0.4992000    
 H    3.292300      -1.048600      -1.558200    
 H  -0.6443000       2.642100      0.1304000    
 H  -0.1547000       2.142100      -1.471200    
 H  -0.1959000      0.4448000       1.075700    
 H    5.548200      0.1520000     -0.5804000    
 H    4.510400       1.005600      -1.746700    
 H   -1.442000     -0.3448000      -1.468900    
 H    4.645900      -3.236600      0.6251000    
 H   -6.399300       1.130800      0.4555000    
 H   -4.843900       1.490100       1.155400    
 H   -5.078900       1.703500     -0.5775000    
 H   -5.588200      -2.046400      -1.259200    
 H   -5.894300     -0.4657000      -1.958300    
 H   -6.919900      -1.051500     -0.6302000    
 H   -4.348900      -2.155400       1.122900    
 H   -4.405600     -0.7051000       2.119400    
 H   -5.899000      -1.450800       1.613100    


%chk=000130222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130222

0 1
S 4.281993 1.714673 0.517031
O 0.781766 -1.271606 -1.469664
O -3.639881 -0.446077 -0.494581
O 5.064938 -2.225735 -0.119099
O 3.267345 -1.912305 1.325517
O -2.711011 0.977880 1.171092
N 2.241398 0.137527 -0.312383
N -1.415537 -0.032633 -0.490671
C 2.412924 1.288234 0.602768
C 1.508054 2.458552 0.163182
C 3.455196 -0.550513 -0.755592
C 0.047943 1.994848 -0.145901
C -0.148248 0.456650 0.037780
C 0.980802 -0.317506 -0.655988
C 4.526785 0.540001 -0.953269
C 3.876550 -1.609204 0.283564
C -2.602799 0.233095 0.154258
C -5.067314 -0.340625 0.024196
C -5.534890 1.126789 -0.054658
C -5.830711 -1.230824 -0.971749
C -5.135041 -0.907430 1.456764
H 2.227686 0.987616 1.650082
H 1.959572 2.918360 -0.732746
H 1.516820 3.222891 0.960409
H 3.239654 -1.082925 -1.700853
H -0.682058 2.499021 0.507980
H -0.215918 2.240779 -1.189840
H -0.095171 0.238319 1.126395
H 5.546784 0.134409 -0.907118
H 4.363503 1.083680 -1.895949
H -1.371256 -0.736818 -1.235191
H 5.322518 -2.924170 0.541438
H -6.606630 1.186641 0.210326
H -4.961398 1.759653 0.640730
H -5.411550 1.514596 -1.081536
H -5.443118 -2.263746 -0.944387
H -5.721271 -0.844821 -1.999877
H -6.904693 -1.249338 -0.713490
H -4.736976 -1.937437 1.481828
H -4.556677 -0.281463 2.154233
H -6.188084 -0.936137 1.792471


