%chk=000134106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134106

0 1
 S    1.416900      0.1180000      -1.584900    
 O   -3.718000       1.731400     -6.0899999E-02
 O  -0.8349000       2.678400       1.348200    
 O   0.2375000       2.906800     -0.6730000    
 O    6.695500     -0.3399000     -0.6824000    
 N   -1.888400      0.3437000      0.4847000    
 N    4.704000     -0.6218000      0.4989000    
 C   -1.996000      -1.101100      0.1852000    
 C   -3.447600     -0.8013000     -0.2777000    
 C  -0.8303000      -1.378800     -0.7706000    
 C   -3.146000      0.6728000      7.2499998E-02
 C   -4.577400      -1.416600      0.5123000    
 C  -0.7286000      0.8427000     -3.6800001E-02
 C  -6.2899999E-02 -8.1000000E-02 -0.7410000    
 C   -5.881400     -0.6346000      0.3152000    
 C   -4.786300      -2.886200      0.1282000    
 C  -0.3795000       2.246200      0.1567000    
 C    2.507200     -0.2990000     -0.3184000    
 C    3.832500     -0.2938000     -0.4945000    
 C    6.082700     -0.6248000      0.3441000    
 C    6.801000      -1.061000       1.594200    
 H   -1.927000      -1.693600       1.107400    
 H   -3.587500     -0.9236000      -1.361200    
 H   -1.184400      -1.611000      -1.780500    
 H  -0.2192000      -2.209700     -0.4023000    
 H   -4.341600      -1.385900       1.584300    
 H   -6.133300     -0.5470000     -0.7472000    
 H   -6.714300      -1.132400      0.8234000    
 H   -5.808800      0.3763000      0.7274000    
 H   -5.052700      -2.983500     -0.9299000    
 H   -5.584200      -3.338400      0.7261000    
 H   -3.870300      -3.463400      0.2932000    
 H    2.101100     -0.5756000      0.6511000    
 H  -0.6174000       3.621700       1.506900    
 H    4.276700     -2.3399999E-02  -1.447500    
 H    4.311800     -0.8827000       1.400300    
 H    7.859900     -0.7985000       1.520400    
 H    6.704200      -2.143900       1.709300    
 H    6.378800     -0.5622000       2.471300    


%chk=000134106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134106

0 1
S 1.627724 1.904372 0.290919
O -3.982413 1.255597 -1.482495
O -2.543444 3.995825 0.123599
O -0.234117 4.196496 -0.158284
O 5.273618 -1.559820 -1.550238
N -2.361980 1.184252 0.359898
N 4.376615 -1.149508 0.563459
C -1.935926 -0.204700 0.784714
C -2.985827 -0.800271 -0.223506
C -0.401311 -0.227289 0.526309
C -3.277973 0.683851 -0.634971
C -4.145028 -1.647657 0.344426
C -1.207280 2.028978 0.253965
C -0.060111 1.261826 0.379303
C -5.231417 -1.872067 -0.733768
C -3.613303 -2.992600 0.895010
C -1.248829 3.476875 0.051754
C 2.583919 0.475289 0.930761
C 3.477045 -0.164003 0.125985
C 5.260966 -1.811069 -0.314195
C 6.183376 -2.830182 0.339333
H -2.175786 -0.399488 1.843903
H -2.507966 -1.333252 -1.068978
H -0.116692 -0.765974 -0.400323
H 0.149577 -0.703256 1.354393
H -4.598671 -1.078935 1.183337
H -4.829744 -2.466745 -1.576830
H -6.091241 -2.423162 -0.311007
H -5.595350 -0.912894 -1.140943
H -3.161366 -3.595547 0.083683
H -4.435139 -3.585768 1.336390
H -2.845871 -2.844565 1.678245
H 2.485523 0.269854 2.003362
H -2.507135 4.973175 -0.059325
H 3.564434 0.059023 -0.942777
H 4.405595 -1.387863 1.557110
H 7.231198 -2.527896 0.168249
H 6.045074 -3.808347 -0.152350
H 6.021054 -2.949252 1.424380


