%chk=000039752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039752

0 1
 S   -6.670700     -0.8892000      0.3775000    
 O  -0.8243000       1.359000      -1.922500    
 O   -7.332600      5.0099999E-02   1.271500    
 O   -7.303700      -1.257200     -0.8815000    
 N    1.125200       1.308200      2.0900000E-02
 N    3.728000      0.1396000      0.1582000    
 C    2.034900       1.649500       1.121600    
 C    1.336500     -8.5800000E-02 -0.3875000    
 C    3.496100       1.485700      0.6969000    
 C    2.774800     -0.3083000     -0.8616000    
 C  -0.2655000       1.520700      0.4204000    
 C    5.040700     -0.3449000      0.1419000    
 C   -1.173100       1.203200     -0.7541000    
 C    5.663600     -0.7119000      -1.067800    
 C    5.779700     -0.4795000       1.334200    
 C   -2.543500      0.6814000     -0.4720000    
 C    6.972400      -1.194100      -1.084500    
 C    7.088500     -0.9616000       1.317500    
 C   -3.168400       1.067600      0.6912000    
 C   -3.127100     -0.1648000      -1.386400    
 C   -5.068000     -0.2795000      4.7800001E-02
 C    7.684800      -1.318900      0.1082000    
 C   -4.448600      0.5802000      0.9548000    
 C   -4.407200     -0.6520000      -1.122800    
 C   -6.392500      -2.397600       1.278000    
 H    1.881100       2.692300       1.424900    
 H    1.835600       1.020800       2.000000    
 H   0.6882000     -0.3926000      -1.213800    
 H    1.123900     -0.7651000      0.4499000    
 H    3.752700       2.229400     -6.8599999E-02
 H    4.129100       1.687700       1.568600    
 H    2.944100      0.2396000      -1.797500    
 H    2.903900      -1.378500      -1.066700    
 H  -0.5152000      0.8874000       1.279700    
 H  -0.4314000       2.570800      0.6872000    
 H    5.144700     -0.6164000      -2.018300    
 H    5.331400     -0.2192000       2.290500    
 H    7.438000      -1.469800      -2.026100    
 H    7.642500      -1.061500       2.246300    
 H   -2.715700       1.748600       1.404200    
 H   -2.621000     -0.4683000      -2.297700    
 H    8.703900      -1.694300      9.5200002E-02
 H   -4.943200      0.8813000       1.874000    
 H   -4.868000      -1.326500      -1.839000    
 H   -5.847700      -2.167900       2.195600    
 H   -7.364900      -2.831200       1.521200    
 H   -5.824000      -3.086600      0.6505000    


%chk=000039752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039752

0 1
S -7.265302 0.033706 0.509545
O -0.780210 -0.160783 -1.800511
O -7.488098 0.804905 1.936081
O -7.991446 0.507033 -0.877836
N 1.213185 0.487151 0.115474
N 4.082530 0.091863 0.153599
C 2.055008 1.136605 1.149431
C 1.809996 -0.808267 -0.293523
C 3.474432 1.364160 0.605586
C 3.238232 -0.613555 -0.830554
C -0.190573 0.393767 0.517332
C 5.495276 -0.028869 0.082458
C -1.169417 0.077552 -0.624505
C 6.134250 -0.760554 -0.964786
C 6.330030 0.545593 1.090741
C -2.645129 0.054479 -0.295218
C 7.536726 -0.918175 -0.988124
C 7.729007 0.390462 1.050036
C -3.143335 0.227321 1.025477
C -3.556932 -0.125385 -1.371810
C -5.390341 0.003949 0.182878
C 8.351119 -0.345457 0.013240
C -4.532503 0.204563 1.275158
C -4.947085 -0.144729 -1.141979
C -7.735873 -1.803294 0.786995
H 1.610860 2.115652 1.410938
H 2.116822 0.517795 2.081108
H 1.190839 -1.245703 -1.092608
H 1.842975 -1.519229 0.571832
H 3.416746 2.084398 -0.242330
H 4.091669 1.820451 1.394257
H 3.189533 -0.060917 -1.796743
H 3.664719 -1.612576 -1.024096
H -0.363083 -0.373974 1.322715
H -0.497933 1.364524 0.956207
H 5.545990 -1.190698 -1.780238
H 5.885678 1.090427 1.929919
H 7.994051 -1.483713 -1.808658
H 8.337581 0.838819 1.844267
H -2.459561 0.381024 1.865853
H -3.147359 -0.238971 -2.380623
H 9.439006 -0.465841 -0.012090
H -4.945665 0.367674 2.276344
H -5.668285 -0.238975 -1.960814
H -7.168284 -2.153183 1.659920
H -8.818563 -1.787494 0.975104
H -7.483282 -2.343631 -0.135446


