%chk=000150396.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150396

0 1
 S   -3.580600       1.763100      -1.155000    
 O   0.3604000      -2.366000      0.9001000    
 O   -1.797300      -2.526800       1.271300    
 O    2.406700       1.749700       2.256700    
 O   0.3617000       1.435200       1.523200    
 N   -2.240100     -0.1699000     -0.1302000    
 N  -0.8431000       1.214400      -1.155900    
 N  -0.8127000      -1.911000      0.7695000    
 N    1.600700       1.281800       1.419500    
 C   -3.581000     -0.5711000      0.2277000    
 C   -2.088500      0.9669000     -0.8524000    
 C   -1.022400     -0.7196000      6.6699997E-02
 C   -4.471900      0.6608000      2.4499999E-02
 C  -0.1641000      0.1560000     -0.5776000    
 C    1.258400      5.7999999E-03 -0.6564000    
 C    2.111300      0.5498000      0.3097000    
 C    1.801100     -0.7056000      -1.731200    
 C    3.492100      0.3841000      0.2018000    
 C    3.181900     -0.8713000      -1.839200    
 C    4.027300     -0.3264000     -0.8727000    
 H   -3.615700     -0.8927000       1.271200    
 H   -3.870700      -1.392600     -0.4356000    
 H   -5.461600      0.3928000     -0.3553000    
 H   -4.593300       1.205500      0.9668000    
 H    1.158400      -1.137800      -2.495000    
 H    4.186200      0.7919000      0.9322000    
 H    3.598800      -1.424500      -2.675600    
 H    5.102400     -0.4558000     -0.9574000    


%chk=000150396-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150396

0 1
S -3.736044 1.148621 -1.906302
O 0.392890 -1.745233 1.744357
O -1.875056 -1.979010 2.024890
O 2.657667 0.589153 2.702747
O 0.672630 1.293549 1.843341
N -2.352834 -0.198189 -0.054128
N -0.899124 0.782349 -1.509472
N -0.832621 -1.466248 1.427124
N 1.826238 0.725764 1.728919
C -3.734146 -0.559322 0.331039
C -2.192654 0.598014 -1.171042
C -1.060988 -0.567624 0.349730
C -4.628849 0.530657 -0.315484
C -0.166215 0.074520 -0.547808
C 1.307618 0.027254 -0.661925
C 2.247020 0.248637 0.383193
C 1.832579 -0.272087 -1.947075
C 3.636294 0.116909 0.179154
C 3.220286 -0.388639 -2.170040
C 4.126714 -0.210226 -1.100400
H -3.838491 -0.571910 1.425332
H -3.968555 -1.568830 -0.051016
H -5.609321 0.134709 -0.614285
H -4.748007 1.405987 0.339953
H 1.125428 -0.417796 -2.768946
H 4.307090 0.287866 1.024986
H 3.590259 -0.623322 -3.173295
H 5.204593 -0.308851 -1.262146


