%chk=000179009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000179009

0 1
 S   -3.938000       1.064100     -0.6453000    
 O    1.227400      -2.890800      0.8587000    
 O    1.691200       1.216400      -1.504100    
 N    3.397700      -1.581900       1.068500    
 C   -1.277200     -0.7585000     -0.7280000    
 C   -1.637300      2.0099999E-02  0.5414000    
 C  -0.6392000      -2.111000     -0.4086000    
 C  -0.3893000      5.7599999E-02  -1.668100    
 C   -2.376300       1.334200      0.2666000    
 C   0.7638000      -2.000800      0.1475000    
 C    1.019600      0.2488000      -1.150600    
 C    1.567800     -0.8088000     -0.2518000    
 C   -2.692900       2.054600       1.575100    
 C    2.817500     -0.6817000      0.2145000    
 C    3.661600      0.5154000     -0.1705000    
 C   -4.782400      6.2399998E-02  0.5972000    
 C    3.456900       1.697300      0.7815000    
 C    4.292800       2.897400      0.3635000    
 C   -6.163600     -0.3351000      0.1123000    
 H   -2.200300     -0.9943000      -1.270500    
 H  -0.7209000      0.2661000       1.094200    
 H   -2.200500     -0.6222000       1.227000    
 H  -0.5803000      -2.723500      -1.316400    
 H   -1.257100      -2.650700      0.3185000    
 H  -0.8176000       1.034700      -1.903600    
 H  -0.2959000     -0.4737000      -2.624500    
 H   -1.764300       2.013500     -0.3330000    
 H   -3.349700       2.918600       1.425700    
 H   -1.761400       2.438700       2.009200    
 H   -3.128100       1.400800       2.336700    
 H    4.712800      0.2084000     -3.9299998E-02
 H    3.677500      0.7650000      -1.234500    
 H   -4.228200     -0.8558000      0.8014000    
 H   -4.912400      0.6190000       1.527600    
 H    3.737300       1.407200       1.801800    
 H    2.403800       1.997700      0.8196000    
 H    4.335400      -1.411700       1.410700    
 H    2.900100      -2.399200       1.392700    
 H    5.359100       2.650000      0.3567000    
 H    4.012200       3.240500     -0.6374000    
 H    4.141100       3.726700       1.061600    
 H   -6.791600      0.5421000     -7.8500003E-02
 H   -6.111900     -0.9322000     -0.8046000    
 H   -6.666900     -0.9418000      0.8727000    


%chk=000179009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179009

0 1
S -4.158268 1.018147 -0.603365
O 1.291181 -2.834099 0.927063
O 1.543896 1.394565 -1.435042
N 3.505151 -1.594684 0.946554
C -1.334124 -0.756762 -0.693557
C -1.692666 0.065856 0.570203
C -0.624652 -2.076928 -0.324709
C -0.419791 0.003428 -1.681725
C -2.513398 1.352469 0.327233
C 0.812722 -1.903601 0.160629
C 0.976995 0.292813 -1.119823
C 1.598151 -0.733939 -0.253160
C -2.756014 2.140855 1.627222
C 2.969365 -0.619986 0.170529
C 3.893994 0.528907 -0.177413
C -5.108112 -0.049458 0.646178
C 3.719522 1.740199 0.786620
C 4.673287 2.893893 0.415477
C -6.440252 -0.479045 0.010784
H -2.283168 -0.991626 -1.213666
H -0.762373 0.359950 1.101203
H -2.248337 -0.587628 1.273567
H -0.586610 -2.735367 -1.218410
H -1.166239 -2.641462 0.455852
H -0.851371 0.964126 -2.008982
H -0.295061 -0.614318 -2.596182
H -1.988183 2.003745 -0.396537
H -3.351204 3.049300 1.432946
H -1.789896 2.444871 2.075201
H -3.291753 1.529499 2.376571
H 4.943527 0.171813 -0.125075
H 3.683162 0.884007 -1.198325
H -4.489984 -0.928015 0.899107
H -5.279614 0.546636 1.558329
H 3.899392 1.414943 1.830858
H 2.674325 2.089075 0.717667
H 4.484023 -1.542700 1.229592
H 2.854591 -2.380916 1.205776
H 5.732362 2.574520 0.453739
H 4.462195 3.257238 -0.606732
H 4.551572 3.745477 1.109234
H -7.052512 0.398728 -0.262631
H -6.272208 -1.077211 -0.902424
H -7.021321 -1.093713 0.723225


