%chk=000119298.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119298

0 1
 S  -1.0300000E-02 -0.4684000     -0.1557000    
 O   -2.101900       2.072600       2.144100    
 O    3.134600      -2.348200      -1.019700    
 O    2.591100      -2.862200       1.120600    
 O    4.177800       1.990000      0.4492000    
 N    3.147700      0.2252000     -0.6669000    
 C   -1.374600      0.1649000      0.8444000    
 C    2.727900     -0.5247000      0.4906000    
 C    1.352000     -8.0100000E-02  0.9929000    
 C   -2.694200     -2.3900000E-02  0.1259000    
 C   -1.100600       1.621400       1.237800    
 C   -3.368300      -1.225000      0.2578000    
 C   -3.196100       1.009100     -0.6456000    
 C    2.799800      -2.023800      0.2520000    
 C   -4.583900      -1.399000     -0.4037000    
 C   -4.411900      0.8352000      -1.307000    
 C    3.839800       1.423700     -0.5869000    
 C   -5.105700     -0.3690000      -1.186100    
 C    4.176700       1.982200      -1.943500    
 H   -1.422800     -0.4221000       1.771500    
 H    3.463200     -0.3191000       1.279600    
 H    1.428800      0.9987000       1.135400    
 H    1.138200     -0.5570000       1.955300    
 H   -1.029900       2.315500      0.3947000    
 H  -0.1884000       1.727600       1.822100    
 H    2.909800     -0.1434000      -1.583500    
 H   -2.970700      -2.033800      0.8640000    
 H   -2.683800       1.952600     -0.7897000    
 H   -5.123900      -2.336700     -0.3100000    
 H   -4.816300       1.634800      -1.920900    
 H   -6.051500     -0.5049000      -1.702300    
 H   -1.894700       2.996900       2.364500    
 H    4.554200       3.003000      -1.838600    
 H    4.943900       1.361100      -2.413800    
 H    3.284700       2.001800      -2.576200    
 H    3.181900      -3.319300      -1.150400    


%chk=000119298-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119298

0 1
S 0.140718 1.434333 -0.014251
O -2.656622 1.134476 2.992054
O 1.528196 -1.964125 -1.081983
O 0.858832 -1.931447 1.139992
O 4.828670 1.211987 0.147133
N 3.057457 0.166010 -0.917008
C -1.277544 0.689017 1.072258
C 2.445819 -0.221120 0.356045
C 1.654048 0.940016 1.016234
C -2.366833 0.151664 0.165317
C -1.727619 1.782225 2.052743
C -2.620849 -1.242614 0.121863
C -3.141187 1.013103 -0.654523
C 1.538186 -1.440898 0.213209
C -3.632240 -1.765141 -0.715222
C -4.147248 0.492509 -1.496881
C 4.249245 0.871557 -0.932361
C -4.398548 -0.899420 -1.529146
C 4.807526 1.206440 -2.309353
H -0.816852 -0.137939 1.637095
H 3.267686 -0.482012 1.056585
H 2.314948 1.816188 1.097106
H 1.307583 0.646962 2.020640
H -2.211860 2.615501 1.502146
H -0.841954 2.185887 2.587081
H 2.600195 -0.132547 -1.779443
H -2.030915 -1.912650 0.758908
H -2.952692 2.093804 -0.643419
H -3.826826 -2.843784 -0.727287
H -4.735611 1.169210 -2.127090
H -5.183539 -1.303046 -2.178609
H -3.104467 1.821455 3.545914
H 4.890067 2.302438 -2.409723
H 5.827531 0.793780 -2.393910
H 4.192606 0.817156 -3.138553
H 0.886695 -2.723277 -1.131657


