%chk=000106386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106386

1 1
 S   -2.043700      -1.406500     -7.0299998E-02
 O   -3.028500      -2.421600     -0.4135000    
 O   -1.475500      -1.369200       1.267500    
 O    3.848900       1.469000     -0.2903000    
 N  -0.8031000      -1.455700      -1.260200    
 N    3.326500     -0.8382000       1.191100    
 N    4.021200      -1.179000       1.960800    
 C   -2.765700      0.1666000     -0.4131000    
 C   -3.922500      0.4624000      0.5288000    
 C   -4.558900       1.815600      0.2177000    
 C   0.3977000     -0.7047000      -1.007200    
 C   -5.691100       2.133500       1.181400    
 C    1.283900      -1.135900     -2.8000001E-02
 C   0.6568000      0.4437000      -1.745200    
 C    2.447900     -0.4072000      0.2170000    
 C    1.820900       1.172300      -1.500400    
 C    2.716400      0.7467000     -0.5193000    
 C    3.768800       2.508100      0.6832000    
 H   -3.106300      0.1563000      -1.453400    
 H   -1.987800      0.9270000     -0.2965000    
 H   -4.680900     -0.3261000      0.4497000    
 H   -3.568000      0.4527000       1.566900    
 H   -4.946400       1.818000     -0.8077000    
 H   -3.802500       2.606600      0.2808000    
 H   -1.128700      -1.398700      -2.234700    
 H   -5.328700       2.172400       2.213700    
 H   -6.132800       3.105300      0.9398000    
 H   -6.480400       1.377300       1.122300    
 H    1.086400      -2.041800      0.5396000    
 H  -3.5500001E-02  0.7836000      -2.510600    
 H    2.023400       2.070200      -2.077800    
 H    3.047000       3.269500      0.3712000    
 H    4.754100       2.974500      0.7681000    
 H    3.488200       2.103000       1.660600    


%chk=000106386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106386

1 1
S -1.925368 0.085389 -0.395756
O -2.142417 -1.038354 -1.544464
O -1.211680 -0.307214 1.016453
O 4.631871 0.398415 0.312744
N -0.710283 1.577089 -1.108486
N 2.795654 0.925950 2.156559
N 3.166421 0.872197 3.254966
C -3.574000 1.072567 -0.063740
C -4.633830 0.133332 0.504049
C -5.956406 0.922373 0.735542
C 0.635167 1.299980 -0.809229
C -7.057384 0.001492 1.306182
C 1.035297 1.303158 0.547594
C 1.616924 0.996385 -1.814898
C 2.388174 0.977262 0.852599
C 2.960362 0.723856 -1.506940
C 3.382931 0.685634 -0.157618
C 5.719899 0.063386 -0.645083
H -3.817778 1.477786 -1.060206
H -3.233725 1.864153 0.622770
H -4.824849 -0.700388 -0.197081
H -4.292415 -0.300142 1.462350
H -6.299281 1.363887 -0.220665
H -5.773776 1.763014 1.433188
H -0.910100 1.588447 -2.127264
H -6.754385 -0.432858 2.276071
H -7.991395 0.567768 1.466753
H -7.280893 -0.830462 0.614278
H 0.326390 1.550564 1.339247
H 1.305166 0.979908 -2.865985
H 3.668570 0.515306 -2.312396
H 5.456070 -0.845787 -1.211697
H 6.594994 -0.121759 -0.009594
H 5.907175 0.917367 -1.318243


