%chk=000133576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133576

0 1
 S   0.8253000      -4.172300      9.9999997E-05
 O   0.5974000      -1.107000      -1.459000    
 O    3.740200      -1.227700      9.7099997E-02
 O    4.621200      0.5185000      -1.037300    
 N    1.380400     -7.4100003E-02  0.4645000    
 C    2.550600       2.101600      0.5432000    
 C    2.374600      0.7523000     -0.1696000    
 C    1.281400       2.939800      0.8180000    
 C  -0.4157000      -1.708400      0.6662000    
 C   -1.751800      -1.957400     -6.8300001E-02
 C   0.5614000     -0.9483000     -0.2404000    
 C   0.2909000       2.267700       1.766000    
 C   0.5836000       3.249800     -0.5119000    
 C   0.2379000      -2.979600       1.245400    
 C   -2.627500     -0.7335000     -0.1816000    
 C    3.691700      2.9700000E-02 -0.4042000    
 C   -3.547300     -0.4610000      0.8188000    
 C   -2.496200      9.6699998E-02  -1.283900    
 C   -4.356700      0.6703000      0.7143000    
 C   -3.305600       1.228000      -1.388300    
 C   -4.235700       1.514800     -0.3891000    
 H    3.254600       2.714900     -3.5599999E-02
 H    3.049200       1.921400       1.505900    
 H    2.005000      0.9508000      -1.184400    
 H    1.604200       3.884500       1.273300    
 H  -0.6348000      -1.062600       1.528800    
 H   -2.318100      -2.731500      0.4677000    
 H   -1.583300      -2.374200      -1.069900    
 H    1.379000     -0.1194000       1.479200    
 H  -0.4031000       3.020600       2.158800    
 H   0.7991000       1.821000       2.626300    
 H  -0.3323000       1.514700       1.277800    
 H  -0.2427000       3.951100     -0.3505000    
 H   0.1640000       2.353800     -0.9801000    
 H    1.278000       3.714800      -1.219700    
 H    1.105900      -2.701500       1.853200    
 H  -0.4683000      -3.495400       1.904400    
 H   -3.647100      -1.110700       1.683600    
 H   -1.784700     -0.1179000      -2.074900    
 H    1.308700      -5.072300      0.8689000    
 H   -5.080400      0.8941000       1.492600    
 H   -3.212600       1.884900      -2.248200    
 H    4.595300      -1.667400     -9.7099997E-02
 H   -4.865700       2.395800     -0.4705000    


%chk=000133576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133576

0 1
S 0.745979 -3.859009 -1.051052
O 0.331129 -0.450721 -1.367350
O 3.778221 -0.962565 1.516108
O 4.929249 0.314426 -0.045162
N 1.387109 -0.202709 0.690121
C 2.509867 2.095916 0.708792
C 2.484578 0.624505 0.178901
C 1.395770 3.049673 0.186541
C -0.469967 -1.819137 0.537438
C -1.830698 -1.962305 -0.201068
C 0.431946 -0.763028 -0.141423
C -0.000039 2.782404 0.799861
C 1.327667 3.084445 -1.359398
C 0.288696 -3.165552 0.665774
C -2.769439 -0.789017 0.048327
C 3.847142 -0.003048 0.487343
C -3.582128 -0.754864 1.212341
C -2.847326 0.295309 -0.863558
C -4.448668 0.332594 1.463276
C -3.715154 1.383799 -0.617109
C -4.518548 1.407537 0.546516
H 3.490487 2.515671 0.410123
H 2.488439 2.075243 1.817823
H 2.378813 0.642069 -0.921155
H 1.713559 4.058433 0.529880
H -0.671470 -1.484503 1.577630
H -2.302783 -2.902130 0.144190
H -1.623776 -2.070508 -1.279391
H 1.454975 -0.521190 1.658607
H -0.695681 3.601007 0.536286
H 0.047754 2.723980 1.903931
H -0.440983 1.844584 0.423738
H 0.660435 3.899413 -1.695769
H 0.923997 2.137918 -1.763635
H 2.324787 3.258380 -1.807123
H 1.222904 -3.035379 1.238702
H -0.358002 -3.902068 1.172002
H -3.547542 -1.594358 1.919756
H -2.216065 0.281185 -1.759234
H 1.185487 -5.083774 -0.569882
H -5.073891 0.338333 2.363756
H -3.765603 2.211331 -1.334114
H 4.692804 -1.312718 1.693494
H -5.194034 2.249831 0.734766


