%chk=000049338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049338

0 1
 S    1.219600      0.9737000     -0.3418000    
 O    1.382900       1.178600      -1.770600    
 O    1.538200       2.040500      0.5914000    
 O   -4.398200     -0.5884000      0.5403000    
 N    4.392100      -1.399400      0.3868000    
 C    2.141900     -0.4538000      0.1357000    
 C    3.635300     -0.2251000     -2.9500000E-02
 C  -0.4641000      0.5037000     -7.7299997E-02
 C   -1.169200     -9.3900003E-02  -1.107500    
 C   -1.046700      0.7441000       1.155200    
 C   -2.498200     -0.4628000     -0.8988000    
 C   -2.375500      0.3750000       1.364000    
 C   -3.101300     -0.2284000      0.3370000    
 C    5.824200      -1.163600      0.2678000    
 C   -5.081100      -1.200400     -0.5527000    
 H    1.896100     -0.6709000       1.180800    
 H    1.805000      -1.288700     -0.4883000    
 H    3.857300      1.4400000E-02  -1.076700    
 H    3.935900      0.6416000      0.5719000    
 H  -0.7143000     -0.2913000      -2.073300    
 H  -0.4959000       1.206300       1.968600    
 H    4.130100      -2.197900     -0.1905000    
 H   -3.002700     -0.9284000      -1.738500    
 H   -2.839600      0.5587000       2.329200    
 H    6.112100     -0.9505000     -0.7667000    
 H    6.368200      -2.056600      0.5909000    
 H    6.144800     -0.3348000      0.9074000    
 H   -4.622900      -2.156100     -0.8291000    
 H   -5.167000     -0.5190000      -1.405900    
 H   -6.099400      -1.420000     -0.2155000    


%chk=000049338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049338

0 1
S 1.238751 0.911286 -0.637500
O 1.327053 1.133248 -2.261827
O 1.676537 2.079559 0.429723
O -4.472977 -0.578294 0.731161
N 4.611037 -1.390430 0.172591
C 2.329743 -0.642513 -0.220108
C 3.799861 -0.208957 -0.180228
C -0.533376 0.404571 -0.232772
C -1.332804 -0.094734 -1.270583
C -1.010736 0.611635 1.076055
C -2.672428 -0.440824 -0.984827
C -2.343073 0.265159 1.359632
C -3.170885 -0.267430 0.333735
C 5.936644 -1.101125 0.755017
C -5.393168 -1.108806 -0.281634
H 1.979131 -1.004644 0.758427
H 2.086218 -1.350929 -1.028810
H 4.084769 0.272689 -1.144392
H 3.922752 0.552597 0.611365
H -0.924207 -0.181359 -2.283285
H -0.363039 1.059803 1.836873
H 4.658520 -2.071271 -0.595215
H -3.308825 -0.828777 -1.784786
H -2.769265 0.405015 2.357063
H 6.607400 -0.498325 0.097983
H 6.448032 -2.050829 0.991543
H 5.808031 -0.546785 1.702293
H -5.022022 -2.064899 -0.698090
H -5.551938 -0.379562 -1.098919
H -6.338133 -1.278469 0.253812


