%chk=000056051.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056051

0 1
 S    1.675800      -2.042200     -5.0500002E-02
 N   -2.818600     -0.6464000      0.2399000    
 N   -3.491700       1.423100     -0.2032000    
 N   0.7474000      0.3213000     -0.5342000    
 N    3.094400      4.8700001E-02 -0.8057000    
 N    5.098200       1.047600      0.1075000    
 N    3.312200      0.5947000       1.451700    
 C   -1.693200      4.7200002E-02 -0.1058000    
 C  -0.3248000     -0.4763000     -0.1686000    
 C   -3.873100      0.2207000      0.1669000    
 C   -2.133900       1.321500     -0.3753000    
 C  -1.1000000E-02  -1.790200      0.1298000    
 C   -5.246900     -0.2132000      0.4812000    
 C    1.848100     -0.3970000     -0.5068000    
 C    3.817000      0.5405000      0.1732000    
 H   -2.868600      -1.622000      0.5025000    
 H   -1.548500       2.176100     -0.6844000    
 H  -0.6606000      -2.598200      0.4365000    
 H   -5.950500      0.6172000      0.3668000    
 H   -5.562200      -1.018500     -0.1895000    
 H   -5.313500     -0.5735000       1.512600    
 H    5.605000       1.076000     -0.7705000    
 H    5.569100       1.406600      0.9308000    
 H    3.869600      0.9752000       2.209400    
 H    2.385500      0.2693000       1.702300    


%chk=000056051-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056051

0 1
S 1.598732 -2.644798 -0.666965
N -2.783706 -0.730260 0.098669
N -3.128204 1.411399 0.716633
N 0.953475 -0.171908 0.132862
N 3.357101 -0.595256 -0.064819
N 5.082253 0.893710 0.370137
N 2.841538 1.631972 0.666493
C -1.505032 -0.151972 0.204050
C -0.258712 -0.860808 -0.052653
C -3.735616 0.240860 0.414675
C -1.753156 1.174454 0.588592
C -0.126539 -2.180954 -0.474412
C -5.212055 -0.011197 0.411236
C 2.038387 -0.928312 -0.136332
C 3.725876 0.641502 0.323818
H -2.978752 -1.696942 -0.157234
H -1.023334 1.957541 0.773620
H -0.901986 -2.912172 -0.693073
H -5.721919 0.920924 0.698717
H -5.581995 -0.312677 -0.587138
H -5.502715 -0.799390 1.131522
H 5.699169 0.128961 0.108159
H 5.469036 1.790799 0.647147
H 3.136455 2.560438 0.960301
H 1.836898 1.352287 0.602597


