%chk=000051161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051161

0 1
 O  -0.7732000      -2.257300      0.3802000    
 O   0.3781000      -2.520200      -1.605200    
 O   -3.577500       3.186100      0.1072000    
 N    3.366600      0.7085000      0.2360000    
 C   0.6990000     -0.5363000     -0.2542000    
 C    1.712200     -0.1676000      -1.370600    
 C    1.528900     -0.7484000       1.040600    
 C    2.609400       1.011500     -0.9833000    
 C    2.468800      0.4216000       1.360200    
 C  -0.4573000      0.4697000     -0.1564000    
 C   0.1012000      -1.884400     -0.5972000    
 C    4.270600       1.809300      0.5674000    
 C   -1.271100      0.6986000      -1.262400    
 C  -0.6849000       1.148000       1.037900    
 C   -2.320700       1.613000      -1.173400    
 C   -1.734600       2.062300       1.126800    
 C   -2.552400       2.294800      2.1100000E-02
 C   -1.415400      -3.520700      0.1815000    
 C   -2.347500      -3.788400       1.343800    
 H    1.207500      6.4599998E-02  -2.316300    
 H    2.364900      -1.025900      -1.588400    
 H    2.146700      -1.652300      0.9259000    
 H   0.8911000     -0.9559000       1.909200    
 H    3.305400       1.192400      -1.811700    
 H    2.008300       1.921800     -0.8624000    
 H    1.923400       1.325400       1.646100    
 H    3.067900      0.1333000       2.233400    
 H    4.977800       1.985700     -0.2507000    
 H    4.869400       1.563000       1.451300    
 H    3.731900       2.743300      0.7646000    
 H   -1.114100      0.1736000      -2.200200    
 H  -0.1177000      0.9792000       1.943500    
 H   -2.955700       1.788500      -2.037500    
 H   -1.911700       2.580000       2.065800    
 H   -1.986600      -3.496400     -0.7532000    
 H  -0.6579000      -4.310300      0.1248000    
 H   -2.856800      -4.748700       1.224000    
 H   -1.793000      -3.797100       2.288000    
 H   -3.099500      -2.996500       1.424500    
 H   -3.591500       3.564400       1.003200    


%chk=000051161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051161

0 1
O -0.655902 -2.436462 0.505268
O -0.239116 -2.278009 -1.775772
O -3.556745 3.457226 -0.116673
N 3.342392 0.698295 0.253729
C 0.668681 -0.533687 -0.245841
C 1.712017 -0.245797 -1.369743
C 1.469470 -0.725818 1.076941
C 2.613899 0.948895 -1.014212
C 2.399961 0.467760 1.374161
C -0.430919 0.563525 -0.164954
C -0.092182 -1.826497 -0.615369
C 4.315776 1.763759 0.558084
C -1.044766 1.041845 -1.355681
C -0.915166 1.068076 1.067263
C -2.076484 1.998498 -1.325918
C -1.948002 2.029128 1.117295
C -2.526653 2.499741 -0.084068
C -1.499163 -3.643177 0.238423
C -2.006083 -4.133888 1.590322
H 1.216103 -0.073927 -2.338951
H 2.345842 -1.143275 -1.492226
H 2.099216 -1.627959 0.964713
H 0.796388 -0.914757 1.929757
H 3.359574 1.095143 -1.818282
H 1.999633 1.885254 -0.956620
H 1.794510 1.386311 1.587124
H 2.990055 0.247950 2.284334
H 5.035224 1.859592 -0.275055
H 4.882103 1.502387 1.470487
H 3.841585 2.765880 0.721248
H -0.728551 0.649254 -2.327603
H -0.495646 0.711057 2.011861
H -2.544816 2.360111 -2.246029
H -2.298646 2.405006 2.087732
H -2.318621 -3.346118 -0.441101
H -0.876864 -4.393622 -0.281898
H -2.643329 -5.026054 1.449200
H -1.166149 -4.408354 2.251353
H -2.605203 -3.354666 2.091685
H -3.803424 3.739574 0.798917


