%chk=000133736.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133736

0 1
 S   -4.497900     -0.3808000      2.1900000E-02
 O   -1.981300       1.198500      0.8858000    
 O    2.859200      -1.420800      0.6933000    
 O   -1.293600       3.386600       1.200500    
 O    4.374800      0.3072000      0.9691000    
 N    1.201500       1.467400      -2.031600    
 C    1.205700       1.280900      0.7947000    
 C   3.1599998E-02   1.838000     -9.1000004E-03
 C    2.283600      0.6569000     -9.0400003E-02
 C   8.5500002E-02   1.934700      -1.356600    
 C    2.256400      0.7960000      -1.435000    
 C    1.823900       2.392900       1.657200    
 C   -1.146700       2.259100      0.7655000    
 C    3.311900     -0.1480000      0.5875000    
 C   -1.001200       2.474200      -2.248000    
 C    3.293800      0.2673000      -2.388300    
 C   -3.183600       1.452300       1.619900    
 C    3.755000      -2.332800       1.337100    
 C   -4.031400      0.1917000       1.684300    
 C    3.115500      -3.704200       1.380400    
 C   -3.135400      -1.471800     -0.3692000    
 C   -2.880200      -2.575800      0.4389000    
 C   -2.337900      -1.211000      -1.479600    
 C   -1.817800      -3.426600      0.1340000    
 C   -1.275600      -2.062000      -1.784500    
 C   -1.015600      -3.169900     -0.9777000    
 H   0.8161000      0.4941000       1.455000    
 H    2.212600       3.211700       1.040100    
 H    1.089800       2.815000       2.351800    
 H    2.649700       2.012300       2.267800    
 H    1.207400       1.546800      -3.042400    
 H   -1.295900       1.723200      -2.988700    
 H   -1.900400       2.759200      -1.694200    
 H  -0.6443000       3.361900      -2.781100    
 H    4.120000     -0.2402000      -1.882400    
 H    2.839500     -0.4497000      -3.080400    
 H    3.722300       1.088100      -2.973400    
 H   -3.741400       2.266600       1.140700    
 H   -2.922300       1.761800       2.638800    
 H    3.958200      -1.986600       2.356700    
 H    4.694400      -2.379900      0.7749000    
 H   -3.501000     -0.5945000       2.228800    
 H   -4.953000      0.4054000       2.235200    
 H    2.889300      -4.055900      0.3683000    
 H    2.165300      -3.669200       1.923600    
 H    3.774600      -4.428300       1.867300    
 H   -3.498900      -2.802600       1.303300    
 H   -2.528300     -0.3540000      -2.119900    
 H   -1.616200      -4.290300      0.7609000    
 H  -0.6496000      -1.860600      -2.649000    
 H  -0.1875000      -3.831500      -1.214300    


%chk=000133736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133736

0 1
S -4.176380 -0.867348 0.630160
O -1.541080 1.239960 1.228199
O 2.446183 -1.171898 0.765617
O -2.258646 2.950069 -0.203873
O 3.902596 -0.995449 -1.048706
N 1.550982 2.459804 -2.192929
C 1.050976 1.149537 0.264291
C -0.018053 1.987093 -0.448092
C 2.118152 0.659862 -0.721171
C 0.303022 2.692920 -1.596226
C 2.397900 1.390342 -1.863886
C 1.706205 1.975837 1.412460
C -1.353359 2.141257 0.143105
C 2.914438 -0.533902 -0.406360
C -0.578155 3.679912 -2.329899
C 3.511813 1.134319 -2.855339
C -2.833437 1.319843 1.947070
C 3.203095 -2.386969 1.181173
C -3.394122 -0.083597 2.173208
C 2.549613 -2.896450 2.462780
C -2.959376 -2.164483 0.149741
C -3.477626 -3.361518 -0.404135
C -1.561121 -1.981145 0.261760
C -2.592322 -4.368703 -0.850964
C -0.684035 -3.001712 -0.170914
C -1.193110 -4.195804 -0.732180
H 0.574593 0.275135 0.730798
H 2.213260 2.873605 1.013486
H 0.936391 2.299902 2.136102
H 2.449794 1.360299 1.949652
H 1.774601 2.992809 -3.034324
H -1.525453 3.206647 -2.638580
H -0.868239 4.516664 -1.673692
H -0.068043 4.078383 -3.226783
H 4.487035 1.066115 -2.348021
H 3.373569 0.162540 -3.360148
H 3.551766 1.930998 -3.621864
H -3.526213 1.960254 1.373582
H -2.620942 1.797051 2.924168
H 4.262073 -2.106614 1.328829
H 3.162637 -3.127208 0.360599
H -2.625696 -0.776058 2.553905
H -4.212041 -0.027159 2.913059
H 1.491419 -3.159245 2.291351
H 2.593603 -2.131714 3.257265
H 3.078793 -3.799215 2.819190
H -4.561091 -3.506353 -0.476117
H -1.162499 -1.044187 0.662362
H -2.999390 -5.291164 -1.280414
H 0.396355 -2.840106 -0.086082
H -0.509834 -4.980356 -1.075712


