%chk=000065983.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065983

0 1
 S   0.7033000       1.110300      -1.419500    
 S   -2.876800       2.733300       1.755700    
 O   0.2311000      -3.072300      0.5544000    
 O    5.323500       1.055400     -0.5749000    
 O    3.389900      -2.869000      0.7879000    
 O    3.138700      -1.318000       2.449700    
 O   -2.749500      -2.744600     -0.2932000    
 O    6.902000       1.759800      0.9455000    
 N    1.377800      -1.248900     -0.4053000    
 N   -1.617600     -0.8358000     -0.9315000    
 N   -4.244300       1.748500     -0.2046000    
 N    7.380600       1.664700      -1.301400    
 N   -4.310800       4.104400     -1.6100001E-02
 C   0.8655000     -0.6765000      -1.637000    
 C  -0.4057000      -1.516900      -1.385800    
 C   0.4077000      -2.173000     -0.2338000    
 C    2.510100     -0.8229000      0.2113000    
 C    3.090900      0.3569000     -0.1129000    
 C    2.485700       1.346100      -1.106500    
 C    4.390800      0.8604000      0.4671000    
 C    3.040300      -1.668700       1.291000    
 C   -2.716000      -1.520400     -0.4103000    
 C   -3.880300     -0.6501000      2.0000001E-03
 C   -5.096400      -1.229400     -7.8299999E-02
 C   -3.655400      0.6939000      0.4655000    
 C   -6.415500     -0.6162000      0.3101000    
 C    6.564300       1.514700     -0.2077000    
 C   -2.877800       1.030200       1.553700    
 C   -7.052800      0.1128000     -0.8627000    
 C   -3.903300       2.871500      0.3875000    
 H    1.435500     -0.9866000      -2.520900    
 H  -0.6252000      -2.214600      -2.202700    
 H    3.020600       1.282800      -2.060300    
 H    2.595700       2.367800     -0.7277000    
 H   -1.675400      0.1751000      -1.024300    
 H    4.818900      0.1596000       1.190200    
 H    4.209500       1.808900      0.9879000    
 H    3.750100      -3.467400       1.476800    
 H   -5.181400      -2.245900     -0.4597000    
 H   -6.291800      7.5900003E-02   1.150900    
 H   -7.084600      -1.409500      0.6630000    
 H   -2.325100      0.3847000       2.222400    
 H   -7.242300     -0.5750000      -1.694100    
 H   -8.013400      0.5413000     -0.5589000    
 H   -6.428200      0.9274000      -1.238100    
 H    7.054600       1.448500      -2.237500    
 H    8.334600       1.996500      -1.207300    
 H   -4.024700       4.947800      0.4702000    
 H   -4.918500       4.229900     -0.8189000    


%chk=000065983-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065983

0 1
S 0.902787 0.683918 -1.192954
S -3.566636 1.833588 2.998780
O 0.374045 -2.011817 2.366765
O 5.687071 0.677575 -1.046869
O 3.252972 -2.921255 2.005361
O 4.568341 -1.089696 2.561737
O -2.807299 -2.495811 -1.237045
O 5.332508 3.010191 -1.226108
N 1.697224 -1.457813 0.379726
N -1.554598 -0.961831 -0.027160
N -4.553355 1.753834 0.499605
N 6.724806 1.831772 -2.705346
N -4.941198 3.843427 1.598462
C 0.923269 -1.175950 -0.849827
C -0.355713 -1.748716 -0.124992
C 0.548403 -1.816639 1.155168
C 2.975292 -0.949336 0.695259
C 3.518474 0.091279 -0.032896
C 2.801429 0.764707 -1.193583
C 4.901387 0.649534 0.226536
C 3.681924 -1.605396 1.837103
C -2.761940 -1.419910 -0.561672
C -3.972684 -0.549558 -0.319112
C -5.054400 -0.789585 -1.127507
C -3.944530 0.497250 0.734982
C -6.393595 -0.101776 -1.124961
C 5.874376 1.950336 -1.631877
C -3.367446 0.348906 1.993413
C -6.527949 0.879647 -2.324519
C -4.455832 2.558652 1.545921
H 1.280929 -1.706792 -1.744442
H -0.639880 -2.738993 -0.523660
H 3.146795 0.339822 -2.153259
H 3.048947 1.840770 -1.203553
H -1.542121 -0.078024 0.489129
H 5.487375 0.042143 0.926984
H 4.830128 1.688287 0.603244
H 3.675581 -3.302005 2.821560
H -4.911746 -1.585243 -1.874547
H -6.552602 0.456321 -0.188163
H -7.183616 -0.875640 -1.206110
H -2.902286 -0.531336 2.432818
H -6.350944 0.368025 -3.288339
H -7.542046 1.318825 -2.350571
H -5.791766 1.694647 -2.219381
H 7.140392 0.932673 -2.937185
H 6.951181 2.663816 -3.242888
H -4.847763 4.421000 2.428021
H -5.394791 4.219579 0.768851


