%chk=000119376.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119376

0 1
 S    7.933600       1.343000     -0.5669000    
 O   -1.553300      -1.045800      0.2326000    
 O   -3.197900      -2.194200     -0.8773000    
 O    8.168600      0.4876000      -1.713700    
 O    9.041600       1.852900      0.2178000    
 N    3.579900      -1.255000      0.2877000    
 N    6.822600      0.6024000      0.4925000    
 N   -4.393700       1.858800      0.8214000    
 C   0.7045000      -1.738000      0.5938000    
 C    1.715300      -2.875900      0.4160000    
 C    1.261100     -0.4501000     -2.2399999E-02
 C    3.097200      -2.479500      0.9401000    
 C    2.658200     -0.1341000      0.5157000    
 C  -0.6446000      -2.101500     -2.0199999E-02
 C    4.922400     -0.9180000      0.7608000    
 C    5.464200      0.2834000      9.9999997E-05
 C   -2.830700      -1.203900     -0.2534000    
 C   -3.716600     -7.5199999E-02  4.4500001E-02
 C   -5.067900      6.0600001E-02 -0.3141000    
 C   -5.479700       1.296600      0.1889000    
 C   -3.312600       1.023300      0.7356000    
 C    6.982300       2.742300      -1.114000    
 C   -5.999400     -0.7307000      -1.015000    
 C   -6.781800       1.782800      2.5300000E-02
 C   -4.379600       3.145200       1.483800    
 C   -7.305400     -0.2574000      -1.186400    
 C   -7.688300      0.9804000     -0.6734000    
 H   0.5588000      -1.556600       1.667800    
 H    1.368500      -3.770000      0.9477000    
 H    1.792900      -3.147000     -0.6452000    
 H    1.304700     -0.5455000      -1.115600    
 H   0.5977000      0.3954000      0.1958000    
 H    3.787900      -3.306700      0.7358000    
 H    3.054800      -2.352000       2.030000    
 H    2.597200      0.1170000       1.582700    
 H    2.964900      0.7675000     -2.0400001E-02
 H   -1.023600      -3.024400      0.4350000    
 H  -0.5468000      -2.254600      -1.101900    
 H    5.598500      -1.767100      0.5955000    
 H    4.926300     -0.7167000       1.840700    
 H    5.492100      6.3199997E-02  -1.072600    
 H    4.877000       1.189800      0.1654000    
 H    6.835700      0.9289000       1.468000    
 H   -2.362500       1.296400       1.176200    
 H    7.631900       3.363300      -1.735600    
 H    6.132600       2.401800      -1.707400    
 H    6.655600       3.313800     -0.2432000    
 H   -5.724700      -1.698400      -1.423900    
 H   -7.086300       2.745400      0.4222000    
 H   -3.385500       3.335700       1.896200    
 H   -4.628700       3.914500      0.7485000    
 H   -5.117000       3.125800       2.290300    
 H   -8.028400     -0.8634000      -1.726100    
 H   -8.707900       1.328500     -0.8181000    


%chk=000119376-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119376

0 1
S 8.216687 0.384723 -0.111711
O -1.715073 -0.885193 0.203301
O -3.151193 -1.958640 -1.301294
O 7.752638 -1.010184 -0.820865
O 8.919699 0.410930 1.358964
N 3.494434 -0.458522 0.221908
N 6.740411 1.576497 -0.065718
N -5.011468 1.439845 1.362066
C 0.675448 -1.312396 0.396556
C 1.824964 -2.302546 0.082040
C 1.081196 0.110010 -0.055633
C 3.152873 -1.821902 0.699898
C 2.432152 0.520625 0.561090
C -0.623692 -1.783244 -0.262962
C 4.845988 -0.011171 0.613431
C 5.459663 0.921651 -0.459476
C -2.970687 -1.087562 -0.408082
C -3.985542 -0.181783 0.121187
C -5.376790 -0.107687 -0.299593
C -5.994849 0.917625 0.494364
C -3.812516 0.776391 1.131969
C 9.344681 1.301944 -1.332940
C -6.151186 -0.803131 -1.262040
C -7.355152 1.267937 0.356929
C -5.239986 2.504721 2.341469
C -7.510404 -0.458411 -1.404487
C -8.105721 0.562739 -0.606943
H 0.516938 -1.299213 1.496072
H 1.585241 -3.311814 0.470663
H 1.953347 -2.385343 -1.015243
H 1.170463 0.129522 -1.159891
H 0.299204 0.836425 0.232567
H 3.971466 -2.505732 0.411280
H 3.066204 -1.853869 1.818376
H 2.318455 0.613499 1.674905
H 2.726912 1.517174 0.182392
H -0.877875 -2.821650 0.023476
H -0.567613 -1.735642 -1.367137
H 5.503364 -0.894651 0.709962
H 4.848196 0.512885 1.605814
H 5.628472 0.344831 -1.384854
H 4.769184 1.750740 -0.707864
H 6.732342 1.883218 0.929968
H -2.910626 1.013184 1.692153
H 10.236977 0.670352 -1.444795
H 8.774648 1.397673 -2.265893
H 9.567254 2.274919 -0.876339
H -5.688188 -1.585783 -1.869470
H -7.817481 2.051363 0.966926
H -4.305894 2.706364 2.888641
H -5.562901 3.435732 1.840966
H -6.016604 2.207016 3.069221
H -8.126819 -0.983775 -2.142321
H -9.165543 0.803910 -0.745404


