%chk=000056295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056295

0 1
 S   -2.611800      0.3983000     -1.6899999E-02
 O  -0.2463000       3.086300      0.7772000    
 O   0.2117000      -1.648900      0.9593000    
 O    6.097700      0.1123000      -1.150300    
 O    2.464300      -2.635900      0.2566000    
 O    4.463400       2.207300     -0.7548000    
 O    5.131900      -3.296600      0.6862000    
 O   -5.674900      0.9997000      -2.109800    
 O   -5.690300       2.500600     -0.4105000    
 O   -6.484100      -2.368700       1.062800    
 N   -5.453200      -1.097500     -0.5932000    
 C    2.090200     -0.3082000      0.2305000    
 C    2.613800      0.9538000     -3.5300002E-02
 C  -1.6600000E-02  0.7027000      0.8683000    
 C   0.7707000     -0.4342000      0.6834000    
 C   0.5083000       1.965200      0.6023000    
 C   -1.427000      0.5723000       1.349700    
 C    1.821700       2.093900      0.1505000    
 C    2.912800      -1.515000      3.9400000E-02
 C    4.323000      -1.352900     -0.4334000    
 C    3.997100       1.099000     -0.5132000    
 C    4.816500     -0.1283000     -0.6951000    
 C   -4.124800      0.2753000      0.9636000    
 C   -5.397200      0.1532000      0.1214000    
 C    5.082300      -2.646600     -0.5677000    
 C   -5.595900       1.343700     -0.8020000    
 C   0.3725000       4.336300      0.4804000    
 C   -5.994500      -2.256000     -5.7900000E-02
 C    6.987500      0.2982000     -6.7199998E-02
 C   -5.949100      -3.409100      -1.024300    
 H   -1.706100       1.445000       1.951500    
 H   -1.527600     -0.2874000       2.022000    
 H    2.274700       3.053800     -7.0299998E-02
 H   -4.037500     -0.5894000       1.630700    
 H   -4.193700       1.173900       1.586900    
 H   -6.259000      0.1638000      0.8016000    
 H    4.586100      -3.302800      -1.291200    
 H    6.108000      -2.485000     -0.9131000    
 H   -5.063300      -1.126400      -1.531200    
 H   0.8500000      -2.365100      0.8277000    
 H    1.220900       4.536000       1.144100    
 H   0.6401000       4.414300     -0.5790000    
 H  -0.3709000       5.116400      0.6758000    
 H    6.707600       1.167300      0.5382000    
 H    7.043600     -0.5942000      0.5657000    
 H    7.985900      0.4823000     -0.4754000    
 H    5.613000      -4.132000      0.5588000    
 H   -4.942900      -3.514500      -1.440000    
 H   -6.212600      -4.335200     -0.5060000    
 H   -6.662200      -3.234600      -1.834600    
 H   -5.809600       1.781200      -2.687100    


%chk=000056295-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056295

0 1
S -2.803723 -1.277218 1.471350
O -0.982196 2.116199 1.940989
O 0.569252 -2.401810 1.845548
O 5.405589 0.309155 -1.519050
O 2.751550 -2.955099 0.703614
O 3.446063 2.305935 -0.756711
O 5.468092 -3.239293 0.376517
O -2.307521 -0.403881 -2.196014
O -1.815877 1.558748 -1.062784
O -6.702082 0.181409 -0.483718
N -4.668155 -0.753203 -1.079185
C 1.924782 -0.704895 0.740737
C 2.092507 0.662196 0.385151
C -0.220077 -0.135587 1.871676
C 0.763509 -1.094019 1.484459
C -0.006240 1.221843 1.508676
C -1.433252 -0.584775 2.629204
C 1.137404 1.621072 0.764736
C 2.923266 -1.697000 0.360885
C 4.113281 -1.303788 -0.394133
C 3.286236 1.094272 -0.393897
C 4.291122 0.028320 -0.754627
C -3.707655 0.322761 0.980087
C -3.923236 0.395298 -0.555742
C 5.117354 -2.388252 -0.762021
C -2.591903 0.601318 -1.270284
C -0.905329 3.510860 1.473973
C -6.051979 -0.779179 -1.003696
C 5.942816 1.675674 -1.738616
C -6.725774 -2.021091 -1.572163
H -1.883506 0.225511 3.218786
H -1.200197 -1.446644 3.271972
H 1.301633 2.658355 0.463364
H -4.693548 0.326280 1.469871
H -3.102119 1.174797 1.325748
H -4.542183 1.299653 -0.734624
H 4.706019 -2.998544 -1.596691
H 6.056091 -1.927982 -1.101251
H -4.141019 -1.509275 -1.518496
H 1.385495 -2.938250 1.478159
H 0.016225 4.000390 1.839577
H -0.960568 3.543182 0.372092
H -1.784783 4.003427 1.913174
H 5.283607 2.251116 -2.404927
H 6.057035 2.212920 -0.783547
H 6.922545 1.490400 -2.204646
H 4.614327 -3.639597 0.702118
H -6.021148 -2.721327 -2.052264
H -7.253231 -2.549848 -0.759207
H -7.486717 -1.712550 -2.308899
H -1.417579 -0.240387 -2.610170


