%chk=000108448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108448

0 1
 S    1.353600       1.328800       1.559800    
 O   9.8999999E-02  -1.365600       1.181100    
 O    1.253600       2.671800       2.101800    
 O    1.695400      0.2119000       2.422700    
 O   -2.375400       3.958900     -0.9427000    
 O   -4.364000       2.889900     -0.4940000    
 N   -2.414300      -1.868400      0.1092000    
 N    2.331100       1.310500      0.2527000    
 N    4.594600       1.570900     -0.5287000    
 C   -3.400600      -3.937100      0.6362000    
 C   -2.937600      -3.968900     -0.8099000    
 C   -2.596700      -2.784100       1.232700    
 C   -2.788200      -2.489900      -1.159000    
 C   -1.945800     -0.5779000      0.2305000    
 C  -0.6838000     -0.3268000      0.7690000    
 C   -2.748300      0.4826000     -0.1900000    
 C  -0.2436000      0.9807000      0.8788000    
 C   -2.288800       1.794400     -7.2099999E-02
 C   -1.026800       2.045600      0.4665000    
 C   -3.126000       2.900000     -0.5100000    
 C   0.9591000      -1.926100      0.2540000    
 C   0.9892000      -1.417800      -1.032700    
 C    1.768200      -2.981800      0.6359000    
 C    3.593800       1.536400      0.4242000    
 C    1.856300      -1.983200      -1.967600    
 C    2.635400      -3.547200     -0.2991000    
 C    2.679300      -3.048000      -1.600800    
 C   -3.088100       5.113300      -1.399900    
 C    5.918400       2.088800     -0.2131000    
 C    4.301100       1.338300      -1.935700    
 H   -3.137700      -2.315300       2.061400    
 H   -1.634200      -3.153900       1.599700    
 H   -2.026800      -2.343000      -1.932000    
 H   -3.740900      -2.081100      -1.513600    
 H   -3.230200      -4.881900       1.159800    
 H   -4.472500      -3.709000      0.6798000    
 H   -3.637300      -4.486800      -1.471500    
 H   -1.964200      -4.469800     -0.8788000    
 H   -3.733700      0.2872000     -0.6078000    
 H  -0.6654000       3.065100      0.5621000    
 H   0.3797000     -0.5954000      -1.389500    
 H    1.734700      -3.371200       1.648900    
 H    3.987700       1.753700       1.433500    
 H    1.891400      -1.595000      -2.981400    
 H    3.276400      -4.376100     -1.3400000E-02
 H    3.354700      -3.487900      -2.328800    
 H   -3.696700       5.525700     -0.5897000    
 H   -2.356900       5.864600      -1.709000    
 H   -3.713100       4.854300      -2.259600    
 H    5.929400       3.178200     -0.3184000    
 H    6.206100       1.835600      0.8127000    
 H    6.679900       1.667300     -0.8774000    
 H    3.544100      0.5581000      -2.057100    
 H    3.930100       2.258400      -2.398400    
 H    5.192700       1.011700      -2.480900    


%chk=000108448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108448

0 1
S 1.309895 1.494808 1.918628
O 0.310413 -1.270897 1.051560
O 1.395739 3.137691 1.935315
O 1.317725 0.704217 3.329667
O -2.616748 4.247165 -0.387086
O -4.147760 2.802929 -1.384411
N -2.267611 -1.853098 -0.244030
N 2.649977 0.786782 0.791244
N 4.586973 1.514224 -0.341476
C -3.071172 -4.015036 0.388058
C -3.603204 -3.662642 -1.023401
C -1.879886 -3.045201 0.572018
C -3.479684 -2.125119 -1.058198
C -1.824097 -0.556240 -0.028594
C -0.576151 -0.254630 0.629178
C -2.590913 0.563606 -0.476172
C -0.247774 1.083595 0.911346
C -2.200722 1.894841 -0.218943
C -1.024631 2.179051 0.518196
C -3.091092 2.979847 -0.726464
C 1.130379 -1.929555 0.095789
C 1.052270 -1.701956 -1.295520
C 2.043331 -2.859881 0.639064
C 3.485290 1.762188 0.426866
C 1.906220 -2.433439 -2.152970
C 2.887908 -3.580766 -0.230765
C 2.823517 -3.374388 -1.631328
C -3.448554 5.383673 -0.843366
C 5.458913 2.602905 -0.803367
C 4.898547 0.145914 -0.790896
H -1.716374 -2.760628 1.625302
H -0.944819 -3.496162 0.191495
H -3.364371 -1.725802 -2.083259
H -4.378767 -1.649691 -0.607798
H -2.761414 -5.069182 0.482250
H -3.850495 -3.815603 1.146695
H -4.639543 -3.998863 -1.193606
H -2.958841 -4.114780 -1.799313
H -3.525572 0.414156 -1.022977
H -0.723372 3.199589 0.765041
H 0.354375 -0.964154 -1.702185
H 2.086339 -2.986592 1.724555
H 3.324309 2.814849 0.722767
H 1.849385 -2.264113 -3.234422
H 3.599457 -4.301933 0.186707
H 3.477690 -3.939931 -2.303522
H -4.460052 5.315064 -0.408731
H -2.921396 6.277807 -0.482952
H -3.527663 5.382614 -1.943684
H 5.439696 2.685041 -1.907733
H 5.124970 3.562704 -0.376552
H 6.503779 2.422634 -0.486091
H 4.253361 -0.562021 -0.247664
H 4.708967 0.032774 -1.875762
H 5.960654 -0.084864 -0.588105


