%chk=000174906.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174906

0 1
 S    2.348800      0.4296000       1.135600    
 O   -1.871200       1.603800     -0.6384000    
 O   0.2273000       2.377200      -1.051500    
 O    7.446800     -0.3502000      0.4025000    
 N   -6.364200      0.1119000      0.1884000    
 N    2.159100     -0.4486000      -1.282100    
 C   -2.197700     -0.6583000      0.2058000    
 C   -4.978200     -0.1424000      0.1934000    
 C  -0.7336000     -0.8621000      0.1877000    
 C   -2.714900      0.5670000     -0.2079000    
 C   -4.085400      0.8390000     -0.2205000    
 C   5.8600001E-02  0.1494000     -0.2305000    
 C   -7.300400     -0.9081000      0.6192000    
 C   -6.873300       1.402200     -0.2344000    
 C   -3.118200      -1.634100      0.6193000    
 C   -4.494900      -1.378700      0.6132000    
 C    1.459100     -1.3000000E-03 -0.2627000    
 C  -0.4945000       1.459900     -0.6724000    
 C  -0.2180000      -2.207500      0.6452000    
 C   -7.549600      -1.896300     -0.5040000    
 C   -6.765500       2.403300      0.8996000    
 C    3.810200     -1.2900000E-02  0.3345000    
 C    3.507100     -0.4615000     -0.9546000    
 C    5.129600      3.3199999E-02  0.8126000    
 C    4.564200     -0.8787000      -1.792700    
 C    6.157000     -0.3849000     -3.7099998E-02
 C    5.880200     -0.8354000      -1.323200    
 C    7.777500      0.6534000       1.359800    
 C    9.234200       1.031000       1.195200    
 H   -4.390900       1.821600     -0.5617000    
 H   -6.985200      -1.409200       1.541300    
 H   -8.260300     -0.4433000      0.8800000    
 H   -6.393700       1.768000      -1.149200    
 H   -7.933300       1.310300     -0.5052000    
 H   -2.790900      -2.613700      0.9580000    
 H   -5.132000      -2.188000      0.9524000    
 H   0.8671000      -2.317900      0.5716000    
 H  -0.6459000      -3.009800      3.3700000E-02
 H  -0.4823000      -2.381900       1.694100    
 H   -7.946500      -1.387600      -1.389500    
 H   -6.646300      -2.430000     -0.8117000    
 H   -8.286200      -2.642800     -0.1899000    
 H   -7.322400       2.059400       1.778200    
 H   -5.733500       2.579800       1.215200    
 H   -7.188200       3.365200      0.5920000    
 H    5.310700      0.3625000       1.830600    
 H    4.359000      -1.232300      -2.799100    
 H    6.688100      -1.158100      -1.975100    
 H    7.184900       1.565900       1.217600    
 H    7.609500      0.2593000       2.368100    
 H    9.526000       1.793400       1.923000    
 H    9.876900      0.1541000       1.326300    
 H    9.421900       1.414700      0.1869000    


%chk=000174906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174906

0 1
S 2.611812 1.552270 0.352249
O -1.926950 1.669623 0.257489
O 0.147406 2.587388 0.350281
O 7.718573 -0.121869 0.295158
N -6.487866 0.111633 0.087548
N 2.192827 -1.111238 0.148374
C -2.266138 -0.755421 0.138375
C -5.123769 -0.160959 0.104762
C -0.830304 -0.969467 0.158817
C -2.788188 0.574616 0.184961
C -4.153729 0.882696 0.175572
C 0.043899 0.149102 0.217663
C -7.500907 -0.966548 0.111925
C -6.998780 1.499743 0.045926
C -3.258168 -1.785926 0.068789
C -4.626070 -1.513616 0.048260
C 1.505635 0.025087 0.225861
C -0.498637 1.517600 0.278847
C -0.295072 -2.381343 0.117482
C -7.852083 -1.513314 -1.291286
C -7.129516 2.148566 1.443403
C 4.019960 0.423419 0.288502
C 3.578975 -0.932731 0.180277
C 5.388695 0.759892 0.330810
C 4.540590 -1.975803 0.113395
C 6.327478 -0.297979 0.263207
C 5.903341 -1.656962 0.154892
C 8.238828 1.255358 0.408206
C 9.761453 1.153053 0.419982
H -4.427355 1.937378 0.239801
H -7.154314 -1.784804 0.769003
H -8.411626 -0.557269 0.587470
H -6.346597 2.111474 -0.603596
H -7.988855 1.476665 -0.446302
H -2.949123 -2.833034 0.017057
H -5.321788 -2.352522 -0.028677
H 0.389500 -2.563042 0.963157
H 0.334693 -2.532848 -0.776528
H -1.093432 -3.136152 0.129293
H -8.244881 -0.709511 -1.939645
H -6.963522 -1.942153 -1.786228
H -8.623807 -2.301579 -1.216679
H -7.818396 1.568408 2.083582
H -6.152364 2.197639 1.953691
H -7.526035 3.176655 1.355098
H 5.705500 1.802353 0.413255
H 4.203097 -3.012997 0.030171
H 6.672964 -2.432714 0.106003
H 7.881417 1.855338 -0.454028
H 7.857984 1.716558 1.342799
H 10.208878 2.160335 0.501541
H 10.104501 0.546997 1.275734
H 10.126868 0.681455 -0.508103


