%chk=000088724.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088724

0 1
 S  -0.5041000      8.9999998E-04 -0.9111000    
 S   0.5186000     -6.2000002E-03  0.8646000    
 O   -2.352000       2.265000      0.5108000    
 O    2.368300       2.261000     -0.5285000    
 O   -4.293100       1.551900     -0.4157000    
 O    4.289900       1.546300      0.4365000    
 N   -4.046200     -0.7745000       1.078700    
 N    4.060500     -0.7883000      -1.047800    
 C   -2.041300     -0.9004000     -0.4246000    
 C    2.028800     -0.8976000      0.4203000    
 C   -2.821800     -8.5199997E-02  0.6478000    
 C    2.831200     -9.1799997E-02 -0.6429000    
 C   -1.614300      -2.295700      5.9999999E-02
 C   -2.876900      -1.050200      -1.710600    
 C    1.604900      -2.294100     -6.3299999E-02
 C    2.840800      -1.042600       1.721800    
 C   -3.253600       1.303500      0.1828000    
 C    3.260300       1.298100     -0.1788000    
 H   -2.227600      3.9299998E-02   1.560000    
 H    2.255800      2.4100000E-02  -1.567800    
 H   -1.125600      -2.282600       1.037300    
 H  -0.9973000      -2.823100     -0.6732000    
 H   -2.499800      -2.931500      0.1895000    
 H   -2.344600      -1.643200      -2.465100    
 H   -3.820500      -1.571700      -1.514100    
 H   -3.122800     -8.6700000E-02  -2.170200    
 H    1.114800      -2.285100      -1.040000    
 H   0.9950000      -2.828400      0.6711000    
 H    2.496800      -2.920000     -0.2004000    
 H    2.280300      -1.603600       2.481100    
 H    3.769400      -1.600000       1.557400    
 H    3.108900     -7.8000002E-02   2.166600    
 H   -4.494100     -0.2405000       1.823300    
 H   -3.808300      -1.676000       1.489500    
 H    4.715200     -0.8332000     -0.2686000    
 H    4.528500     -0.2606000      -1.784000    
 H   -2.639100       3.153300      0.2096000    
 H    2.653500       3.150100     -0.2277000    


%chk=000088724-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088724

0 1
S -0.594300 0.126262 -0.912671
S 0.629477 0.092769 1.004050
O -2.381209 2.017438 1.423641
O 2.373675 2.100459 -1.252422
O -3.832411 1.803465 -0.376246
O 3.844337 1.841627 0.525502
N -4.227173 -0.879387 0.931255
N 4.278004 -0.782618 -0.876355
C -2.158264 -0.945456 -0.475219
C 2.210054 -0.935792 0.524892
C -2.915411 -0.245021 0.705929
C 2.955717 -0.178758 -0.628784
C -1.771579 -2.371176 -0.062529
C -2.959202 -0.928752 -1.797466
C 1.847652 -2.351561 0.058762
C 3.010474 -0.955144 1.847418
C -3.082753 1.267921 0.474728
C 3.097502 1.326985 -0.340839
H -2.298176 -0.374838 1.611497
H 2.340798 -0.285802 -1.538953
H -1.058993 -2.358807 0.781146
H -1.310853 -2.913231 -0.906573
H -2.685669 -2.904791 0.256494
H -2.369023 -1.384418 -2.611860
H -3.873015 -1.537217 -1.663623
H -3.256905 0.091193 -2.092659
H 1.140373 -2.321292 -0.788994
H 1.390716 -2.930870 0.879783
H 2.771853 -2.859263 -0.273060
H 2.426261 -1.446566 2.645234
H 3.932210 -1.546393 1.693119
H 3.294262 0.057848 2.178253
H -4.952925 -0.564605 0.278633
H -4.541865 -0.869973 1.904961
H 4.997967 -0.476821 -0.213137
H 4.591725 -0.730433 -1.849040
H -2.516757 2.989064 1.247765
H 2.491928 3.066653 -1.038330


