%chk=000091772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091772

0 1
 S    2.454600      0.8031000      -1.476300    
 O    2.222200      0.1861000      -2.768100    
 O    3.482600       1.813800      -1.320800    
 O  -0.4292000     -0.1925000      -1.812800    
 O    2.063300       1.593700       1.987000    
 O    4.264200       1.824900       1.468100    
 O   -3.615800      -2.631500     -0.1044000    
 N   0.9696000       1.390500     -0.8600000    
 N   -1.442300       1.457100     -0.5370000    
 N   -3.566900       1.388600      0.4357000    
 N   -2.501200     -0.6173000     -0.3377000    
 N   -4.683200     -0.7242000      0.6550000    
 C    2.790300     -0.5041000     -0.3350000    
 C    3.135700     -0.2271000      0.9786000    
 C    2.697600      -1.809800     -0.7934000    
 C  -0.3281000      0.8332000      -1.139300    
 C    3.394800      -1.280600       1.855400    
 C    2.956800      -2.863200      8.3400004E-02
 C    3.305500      -2.598700       1.407800    
 C   -2.584200      0.6884000     -0.1165000    
 C   -1.401900       2.909100     -0.3529000    
 C    3.240800       1.136000       1.482600    
 C   -4.596300      0.6077000      0.8015000    
 C   -3.599500      -1.268300      7.8199998E-02
 C   -5.761000       1.289000       1.435500    
 C   -2.468300      -3.204100     -0.7147000    
 H    1.024400       2.218500     -0.2547000    
 H    2.425500      -2.050500      -1.815900    
 H    3.667700      -1.087800       2.889900    
 H    2.886000      -3.889600     -0.2644000    
 H    3.507000      -3.419000       2.090400    
 H  -0.6411000       3.369900     -0.9896000    
 H   -1.177600       3.122300      0.6964000    
 H   -2.367100       3.347200     -0.6251000    
 H   -6.700000      0.8454000       1.090000    
 H   -5.702400       1.186200       2.523000    
 H   -5.777000       2.354500       1.185900    
 H    2.141600       2.512800       2.320700    
 H   -1.572900      -3.037500     -0.1062000    
 H   -2.327000      -2.816400      -1.729200    
 H   -2.628500      -4.284000     -0.7875000    


%chk=000091772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091772

0 1
S 2.472996 1.254782 -1.159920
O 2.395089 1.039005 -2.757506
O 3.417479 2.417866 -0.548074
O -0.224460 -0.216306 -1.413842
O 2.436143 1.371827 1.946324
O 4.331001 0.428983 2.894110
O -3.544130 -2.477114 0.966966
N 0.790110 1.704039 -0.561527
N -1.546059 1.548052 -0.478482
N -3.883815 1.445422 -0.109094
N -2.487100 -0.494826 0.286821
N -4.892354 -0.632936 0.634783
C 2.858183 -0.459402 -0.383594
C 3.348229 -0.623466 0.932079
C 2.737947 -1.514214 -1.298956
C -0.319455 0.899970 -0.850598
C 3.769448 -1.930011 1.302029
C 3.134525 -2.808279 -0.892416
C 3.661170 -3.010260 0.403097
C -2.674802 0.801264 -0.098622
C -1.659840 3.025649 -0.592385
C 3.463712 0.424211 1.993851
C -4.959773 0.684645 0.277768
C -3.628423 -1.157488 0.613755
C -6.309313 1.346658 0.322675
C -2.194786 -3.094785 0.919578
H 0.813009 2.413696 0.176630
H 2.355036 -1.315872 -2.304270
H 4.177544 -2.069266 2.308135
H 3.041436 -3.644996 -1.591603
H 3.988234 -4.007639 0.713730
H -1.061993 3.378660 -1.446355
H -1.319976 3.532347 0.331498
H -2.721740 3.264778 -0.745686
H -7.082218 0.659075 -0.056779
H -6.574019 1.587265 1.369588
H -6.301382 2.279755 -0.259994
H 2.615537 2.068332 2.634831
H -1.551584 -2.661556 1.703736
H -1.726181 -2.924779 -0.063362
H -2.384727 -4.161285 1.104680


