%chk=000085365.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085365

0 1
 S   -5.535700     -0.1421000      3.5799999E-02
 O   -6.366300     -0.5058000      -1.320200    
 O   -5.857300       1.218200      0.4287000    
 O   -5.658500      -1.249200      0.9676000    
 N   0.9120000      0.8965000     -2.1500001E-02
 N    4.176200      -3.660200     -0.3029000    
 C  -0.3798000      0.8643000      0.6207000    
 C   -1.442800      0.3175000     -0.3295000    
 C    1.364600       2.152400     -0.6229000    
 C   -2.842700      0.3094000      0.2959000    
 C    2.302000       2.898400      0.3227000    
 C    1.724100     -0.2447000     -8.9000002E-02
 C   -3.919400     -0.1682000     -0.6696000    
 C    2.765300       4.242600     -0.2447000    
 C    1.299000      -1.448600      0.4828000    
 C    2.966600     -0.1889000     -0.7293000    
 C    2.107100      -2.583500      0.4152000    
 C    3.643600       4.990500      0.7463000    
 C    3.344900      -2.521200     -0.2248000    
 C    3.774600      -1.323900     -0.7971000    
 C    1.622500      -3.853400       1.035800    
 H  -0.3642000      0.3207000       1.572500    
 H  -0.6696000       1.884600      0.9071000    
 H   -1.462200      0.9306000      -1.239900    
 H   -1.193200     -0.6993000     -0.6533000    
 H    1.804600       2.006600      -1.616100    
 H   0.4917000       2.791700     -0.8135000    
 H   -2.839000     -0.3311000       1.186400    
 H   -3.087200       1.320800      0.6432000    
 H    1.784600       3.071000       1.275800    
 H    3.181600       2.290900      0.5636000    
 H   -3.941500      0.4829000      -1.550100    
 H   -3.719100      -1.193200     -0.9979000    
 H    3.323200       4.079200      -1.173900    
 H    1.895200       4.861800     -0.4915000    
 H   0.3429000      -1.543200      0.9868000    
 H    3.362700      0.7082000      -1.192300    
 H    4.538400       4.410200      0.9929000    
 H    3.965100       5.946400      0.3210000    
 H    3.100900       5.196900       1.674200    
 H    4.737600      -1.262200      -1.298000    
 H    1.533100      -4.640400      0.2797000    
 H    2.308100      -4.181300       1.824300    
 H   0.6354000      -3.734200       1.495700    
 H    3.892600      -4.540900      0.1028000    
 H    5.070800      -3.595100     -0.7707000    
 H   -6.408100      0.2100000      -1.997200    


%chk=000085365-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085365

0 1
S -5.634555 -0.075855 0.085821
O -6.507954 -0.696917 -1.470659
O -6.112177 1.433766 0.440700
O -5.676152 -1.203249 1.251917
N 1.003782 0.911698 -0.034013
N 4.223295 -3.799659 -0.209641
C -0.338152 0.896018 0.548720
C -1.441014 0.424511 -0.446327
C 1.484293 2.186229 -0.594986
C -2.836834 0.410672 0.226003
C 2.349373 3.023967 0.382688
C 1.803010 -0.256564 -0.076974
C -3.895517 -0.053586 -0.769160
C 2.836753 4.348030 -0.247280
C 1.312346 -1.518995 0.376058
C 3.139110 -0.229208 -0.576426
C 2.090644 -2.696513 0.348258
C 3.690746 5.191636 0.723908
C 3.425068 -2.644913 -0.161173
C 3.922989 -1.396829 -0.618771
C 1.519541 -4.013068 0.843983
H -0.358522 0.254303 1.451488
H -0.585464 1.919202 0.891918
H -1.445471 1.102164 -1.322643
H -1.183541 -0.584425 -0.820546
H 2.052481 1.996391 -1.527330
H 0.602725 2.787520 -0.893771
H -2.821579 -0.266908 1.101994
H -3.085241 1.425114 0.594964
H 1.755848 3.240376 1.294080
H 3.218175 2.421854 0.712172
H -4.055969 0.627351 -1.619468
H -3.782060 -1.095823 -1.105776
H 3.427019 4.125261 -1.160183
H 1.961291 4.942494 -0.581479
H 0.290828 -1.605675 0.761292
H 3.585976 0.705384 -0.926534
H 4.586383 4.631378 1.051696
H 4.032627 6.130681 0.251411
H 3.113859 5.458921 1.629100
H 4.947559 -1.335306 -1.007572
H 1.502045 -4.780890 0.043616
H 2.112573 -4.427022 1.685134
H 0.484404 -3.890515 1.204064
H 3.880091 -4.691176 0.130756
H 5.170898 -3.754642 -0.570537
H -7.481133 -0.785486 -1.258894


