%chk=000070850.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070850

0 1
 S   -1.533100      -2.104800      0.1048000    
 O   -2.604400      -2.777700     -0.6203000    
 O   -1.238000      -2.524000       1.469700    
 O    4.181900       1.104100      0.5185000    
 N  -0.1012000      -2.198000     -0.8489000    
 C   -1.885300     -0.3950000      0.1089000    
 C    1.003500      -1.347400     -0.4961000    
 C   -2.697500      0.1521000     -0.8844000    
 C   -1.353400      0.4241000       1.104700    
 C   -2.446000       2.337700      0.1142000    
 C   -2.977800       1.518500     -0.8817000    
 C   -1.633800       1.790500       1.107300    
 C    1.582800      -1.458700      0.7621000    
 C    1.479300     -0.4227000      -1.418000    
 C    2.653800     -0.6328000       1.103700    
 C    2.550200      0.4032000      -1.076400    
 C    3.137400      0.2982000      0.1845000    
 C   -2.744900       3.799100      0.1161000    
 C    4.626600       2.033600     -0.4685000    
 H  -0.2415000      -2.324500      -1.859900    
 H   -3.116500     -0.4651000      -1.674000    
 H  -0.7267000      2.1600001E-02   1.894800    
 H   -3.611700       1.933300      -1.661000    
 H   -1.216100       2.417900       1.890200    
 H    1.245700      -2.194500       1.484700    
 H    1.026200     -0.3325000      -2.401600    
 H    3.111200     -0.7233000       2.085100    
 H    2.875000       1.104600      -1.837400    
 H   -1.916600       4.371100      0.5481000    
 H   -2.895200       4.173000     -0.9024000    
 H   -3.649600       3.996600      0.6995000    
 H    5.010700       1.523000      -1.358100    
 H    5.462700       2.591300     -3.4000002E-02
 H    3.847800       2.764000     -0.7130000    


%chk=000070850-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070850

0 1
S -1.547229 -2.047227 0.214418
O -2.696919 -2.904052 -0.556223
O -1.068126 -2.362364 1.735577
O 4.569367 0.831999 0.526215
N 0.098905 -2.303823 -0.911406
C -2.056244 -0.224148 0.160675
C 1.177368 -1.445108 -0.583068
C -2.985761 0.176146 -0.814306
C -1.488611 0.659504 1.093581
C -2.809101 2.474937 0.066915
C -3.358021 1.537706 -0.849499
C -1.874356 2.017008 1.033170
C 1.902931 -1.703213 0.621124
C 1.592393 -0.370991 -1.419708
C 3.011077 -0.917267 0.961205
C 2.731633 0.396134 -1.103814
C 3.438154 0.128684 0.097629
C -3.243566 3.928861 0.037908
C 5.069916 1.909215 -0.333294
H -0.279129 -2.151329 -1.867365
H -3.423532 -0.559594 -1.497316
H -0.789173 0.292727 1.851473
H -4.088844 1.874812 -1.593827
H -1.446342 2.726972 1.750249
H 1.577831 -2.527158 1.262436
H 1.029692 -0.149578 -2.335656
H 3.578229 -1.101829 1.878285
H 3.046412 1.195144 -1.781386
H -2.447840 4.598761 0.407057
H -3.519652 4.250803 -0.981220
H -4.129867 4.085428 0.682849
H 5.363070 1.524286 -1.329079
H 5.954412 2.303102 0.187644
H 4.316427 2.711952 -0.450041


