%chk=000127043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127043

0 1
 S    2.661700     -0.1680000      0.5570000    
 S   -4.571800      -1.264200      -1.701100    
 O    3.089300       1.216400      0.7413000    
 O    3.165500      -1.175600       1.486900    
 O  -0.7888000       2.768700     -0.3304000    
 N    3.055700     -0.6580000      -1.056300    
 N   0.4108000       2.106500     -0.1336000    
 N   -1.876800       1.953800     -6.8000004E-02
 N   -3.420600     -0.4656000      0.6982000    
 C   0.9223000     -0.2147000      0.5856000    
 C   8.5800000E-02  0.8672000      0.2551000    
 C   0.2373000      -1.386300      0.9560000    
 C   -1.368300      0.7701000      0.2967000    
 C   -2.033300     -0.4122000      0.6703000    
 C   -1.178600      -1.481000      0.9965000    
 C    2.605300      -2.004000      -1.493000    
 C    2.909600      0.3535000      -2.133800    
 C   -3.905000     -0.8066000     -0.3274000    
 H   0.8009000      -2.278900       1.225000    
 H   -1.616800      -2.432500       1.296700    
 H    3.211200      -2.333000      -2.343300    
 H    1.554300      -1.986200      -1.794500    
 H    2.746000      -2.736700     -0.6937000    
 H    3.373200       1.299300      -1.841100    
 H    1.855200      0.5173000      -2.371500    
 H    3.424400      8.0000004E-03  -3.036100    


%chk=000127043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127043

0 1
S 2.646746 -0.397450 0.612280
S -6.355752 -0.681650 0.384673
O 3.093902 1.052542 1.178895
O 2.957845 -1.784674 1.399460
O -0.825236 2.332056 -1.324112
N 3.452251 -0.584794 -1.065940
N 0.408549 1.711178 -0.895566
N -1.987772 1.599217 -0.891322
N -3.527875 -0.581159 0.435033
C 0.733390 -0.412571 0.455551
C -0.008336 0.614309 -0.201126
C 0.051254 -1.456265 1.068052
C -1.466900 0.549705 -0.206316
C -2.166909 -0.538778 0.443040
C -1.381786 -1.525256 1.062266
C 3.012800 -1.818889 -1.749642
C 3.452753 0.665736 -1.856201
C -4.737693 -0.623877 0.411386
H 0.637258 -2.230333 1.577024
H -1.881657 -2.360275 1.560913
H 3.769569 -2.049296 -2.520866
H 2.020457 -1.731149 -2.245053
H 3.004062 -2.651070 -1.026310
H 3.608714 1.520892 -1.178411
H 2.523768 0.829138 -2.440742
H 4.315098 0.610013 -2.545466


