%chk=000114254.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114254

0 1
 S    3.626700      -1.689400       1.580600    
 P    2.964300     -0.8173000     -3.8300000E-02
 O   0.4820000     -0.5221000      0.6289000    
 O    3.214000      0.7924000     -8.9199997E-02
 N    1.360300      -1.005200     -0.4319000    
 C   -1.773700      0.2140000      0.1760000    
 C   -3.107600     -0.1288000     -0.1496000    
 C  -0.8172000     -0.8048000      0.3156000    
 C   -1.435400       1.565700      0.3518000    
 C   -3.445700      -1.480500     -0.3257000    
 C   -1.170700      -2.142600      0.1373000    
 C   -4.064100      0.8901000     -0.2892000    
 C    3.802200      -1.362500      -1.546700    
 C   -2.482400      -2.479700     -0.1827000    
 C   -2.398500       2.564900      0.2093000    
 C    4.523600       1.333900     -9.2200004E-02
 C   -3.710200       2.227800     -0.1103000    
 C    4.432500       2.844100     -0.1438000    
 H    1.051900     -0.4323000      -1.218600    
 H  -0.4193000       1.863300      0.6016000    
 H   -4.465100      -1.767400     -0.5755000    
 H  -0.4385000      -2.937000      0.2583000    
 H   -5.095500      0.6497000     -0.5389000    
 H    4.887300      -1.264000      -1.454100    
 H    3.574300      -2.414700      -1.743200    
 H    3.469400     -0.7716000      -2.405300    
 H   -2.758000      -3.521500     -0.3182000    
 H    5.053700       1.023900      0.8126000    
 H    5.073100      0.9743000     -0.9659000    
 H   -2.123800       3.606600      0.3480000    
 H   -4.459600       3.006100     -0.2211000    
 H    5.428200       3.296100     -0.1478000    
 H    3.893700       3.167600      -1.040500    
 H    3.874500       3.226100      0.7176000    


%chk=000114254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114254

0 1
S 2.405513 -1.137105 1.535774
P 2.914043 -0.781422 -0.432583
O 0.433383 0.211338 -1.019629
O 3.904623 0.639014 -0.752753
N 1.477299 -0.691100 -1.543223
C -1.786967 0.383162 -0.129839
C -3.057693 -0.217096 0.222818
C -0.774585 -0.477164 -0.680656
C -1.585782 1.786258 0.079780
C -3.258946 -1.623293 0.019860
C -0.977437 -1.840416 -0.871661
C -4.082066 0.623602 0.771914
C 3.948560 -2.020661 -1.349512
C -2.238425 -2.411175 -0.513444
C -2.606953 2.574540 0.616874
C 3.709079 1.861863 0.076879
C -3.865493 1.989718 0.964947
C 5.011206 2.656407 0.007687
H 1.728781 -0.282022 -2.464012
H -0.620332 2.227977 -0.182423
H -4.222722 -2.067722 0.292488
H -0.173303 -2.453416 -1.282882
H -5.044162 0.171056 1.040422
H 4.892983 -2.143992 -0.798840
H 3.409857 -2.978176 -1.391354
H 4.164672 -1.650779 -2.364808
H -2.392035 -3.485443 -0.662313
H 2.857463 2.434057 -0.338639
H 3.465148 1.558050 1.113801
H -2.445587 3.646293 0.776755
H -4.657533 2.618773 1.386111
H 4.907250 3.595951 0.581851
H 5.845295 2.074921 0.435593
H 5.261266 2.913202 -1.036082


