%chk=000125040.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125040

0 1
 S   -1.352800      0.6353000       1.338500    
 O   -1.652900       1.908000       1.966900    
 O   -1.299600     -0.5771000       2.133500    
 O    4.581600      0.4609000     -7.4900001E-02
 O    3.208000      -1.122200      0.8642000    
 N   -2.406900      0.4001000     -8.9999998E-04
 N    2.628200       1.125000      0.8259000    
 C   -2.471200     -0.9597000     -0.5972000    
 C   -2.483400       1.466900      -1.022400    
 C   0.2172000      0.8036000      0.5162000    
 C   -3.591700      -1.770000      4.5899998E-02
 C   -3.884000       1.529300      -1.622300    
 C   -3.719000      -3.173800     -0.5505000    
 C   -4.963000       1.796800     -0.5703000    
 C    1.357400       1.027400       1.491000    
 C   -4.884300      -3.934100      6.3500002E-02
 C   -6.353400       1.788700      -1.186500    
 C    5.526200     -0.5635000     -0.4058000    
 C    3.449800      4.3099999E-02  0.5667000    
 C    6.273300     -0.1639000      -1.679800    
 C    6.485800     -0.7436000      0.7628000    
 C    5.334800      2.2800000E-02  -2.864700    
 H   -1.513300      -1.472900     -0.4524000    
 H   -2.611600     -0.9201000      -1.682600    
 H   -2.254800       2.438400     -0.5702000    
 H   -1.742000       1.290000      -1.809900    
 H   0.1507000       1.650100     -0.1740000    
 H   0.3882000     -0.1074000     -6.5899998E-02
 H   -4.543200      -1.241600     -8.6099997E-02
 H   -3.430300      -1.847600       1.127300    
 H   -3.906500       2.330600      -2.371400    
 H   -4.121500      0.6037000      -2.158500    
 H   -2.791300      -3.733000     -0.3831000    
 H   -3.867100      -3.105300      -1.634500    
 H   -4.783100       2.771200     -0.1007000    
 H   -4.933500       1.048600      0.2278000    
 H    1.209700       1.958600       2.048200    
 H    1.402700      0.2115000       2.221100    
 H   -4.754100      -4.044600       1.144800    
 H   -4.956400      -4.934700     -0.3741000    
 H   -5.830900      -3.415100     -0.1179000    
 H   -6.441300       2.551300      -1.966900    
 H   -7.108100       1.996900     -0.4217000    
 H   -6.579600      0.8139000      -1.630300    
 H    2.940300       2.041900      0.5206000    
 H    5.015400      -1.514600     -0.6038000    
 H    7.021600     -0.9251000      -1.928700    
 H    6.805700      0.7813000      -1.517000    
 H    7.240800      -1.504700      0.5431000    
 H    5.946500      -1.044000       1.667200    
 H    6.994900      0.1974000      0.9991000    
 H    4.620700      0.8327000      -2.685900    
 H    5.908100      0.2738000      -3.762800    
 H    4.772400     -0.8944000      -3.066600    


%chk=000125040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125040

0 1
S -1.251377 0.850053 1.276055
O -1.527915 2.425175 1.582183
O -1.231381 -0.264131 2.463812
O 4.827420 0.490272 -0.072839
O 3.106773 -1.087361 0.315844
N -2.581834 0.302826 0.067115
N 2.904120 1.164940 0.932185
C -2.569203 -1.168365 -0.159067
C -2.639542 1.205152 -1.113617
C 0.509900 0.792347 0.435404
C -3.959923 -1.799045 0.084995
C -4.070448 1.289263 -1.698013
C -3.937411 -3.332776 -0.110966
C -5.111533 1.852704 -0.707611
C 1.572059 1.012446 1.530474
C -5.319327 -3.976015 0.135286
C -6.529914 1.908015 -1.313107
C 5.704152 -0.587451 -0.654873
C 3.569921 0.082835 0.390115
C 6.639628 0.128637 -1.640570
C 6.432814 -1.303127 0.490320
C 5.904031 0.761856 -2.839177
H -1.865397 -1.631290 0.561556
H -2.209422 -1.396627 -1.187213
H -2.345428 2.215358 -0.768718
H -1.932831 0.876031 -1.911244
H 0.474185 1.605169 -0.306176
H 0.592997 -0.203363 -0.027072
H -4.708376 -1.348138 -0.594530
H -4.273373 -1.552479 1.116788
H -4.017429 1.938908 -2.596543
H -4.389701 0.290797 -2.056523
H -3.193175 -3.778476 0.579718
H -3.594281 -3.571963 -1.138691
H -4.797032 2.867114 -0.390615
H -5.108561 1.232642 0.207548
H 1.341845 1.927083 2.104225
H 1.562416 0.152563 2.221870
H -5.669352 -3.775729 1.164932
H -5.284146 -5.072075 -0.003176
H -6.076904 -3.570667 -0.561680
H -6.556693 2.541787 -2.220236
H -7.256577 2.322990 -0.591162
H -6.880869 0.898102 -1.599983
H 3.370971 2.071744 0.925058
H 5.036205 -1.294986 -1.183074
H 7.377334 -0.616148 -1.999791
H 7.209439 0.901761 -1.089240
H 7.090618 -2.093938 0.085156
H 5.710550 -1.778319 1.175292
H 7.055404 -0.591450 1.061266
H 5.169631 1.510577 -2.494300
H 6.614453 1.265975 -3.518928
H 5.361689 -0.004403 -3.424463


