%chk=000079338.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079338

0 1
 O   -3.873300      0.2143000     -0.6230000    
 O   -2.465500      -2.025500      -1.268400    
 O    2.005700      0.4421000      0.8545000    
 O    2.357200     -0.2061000      -1.350700    
 N    3.966900     -0.5921000      0.2749000    
 C   -2.857600     -0.1855000      0.2918000    
 C   -1.612600      0.6693000      0.1553000    
 C   -2.568800      -1.689100      0.1155000    
 C  -0.3653000      0.1279000      0.5317000    
 C   -1.290000      -2.114100      0.7726000    
 C  -0.2723000      -1.266800      0.9790000    
 C   -1.683400       2.011700     -0.2432000    
 C   0.7840000      0.9269000      0.4875000    
 C  -0.5306000       2.796300     -0.2933000    
 C   0.7002000       2.255100      7.0500001E-02
 C    2.752200     -0.1322000     -0.1908000    
 C    4.953200      -1.232100     -0.5640000    
 H   -3.241300     -1.1700000E-02   1.306200    
 H   -3.407000      -2.266300      0.5223000    
 H   -1.189400      -3.153100       1.072300    
 H   0.6376000      -1.619800       1.451200    
 H   -2.635400       2.463100     -0.5093000    
 H  -0.5950000       3.834100     -0.6072000    
 H    1.590200       2.877800      3.5200000E-02
 H   -4.658700     -0.3303000     -0.4436000    
 H   -3.281600      -1.724300      -1.702900    
 H    4.178200     -0.4757000       1.261100    
 H    4.622900      -1.277700      -1.604400    
 H    5.120300      -2.242600     -0.1833000    
 H    5.882300     -0.6615000     -0.4941000    


%chk=000079338-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079338

0 1
O -4.112841 0.437663 -0.192155
O -3.140821 -1.984084 -1.123306
O 1.934826 -0.143512 0.381861
O 3.327631 0.814539 -1.310929
N 4.106231 -0.741991 0.270067
C -2.972855 -0.151986 0.548426
C -1.698147 0.556601 0.118530
C -2.946710 -1.682744 0.308139
C -0.465718 -0.131403 0.325552
C -1.626652 -2.280548 0.751887
C -0.481589 -1.538602 0.755733
C -1.712058 1.873605 -0.375901
C 0.743623 0.567294 0.062163
C -0.491052 2.532971 -0.652261
C 0.745461 1.893269 -0.421016
C 3.161867 0.056122 -0.328997
C 5.490234 -0.800453 -0.206861
H -3.108700 0.009818 1.642117
H -3.786705 -2.132917 0.885038
H -1.604902 -3.347923 0.994997
H 0.476319 -1.995673 1.021181
H -2.672506 2.367041 -0.545106
H -0.498287 3.555753 -1.043670
H 1.687411 2.399616 -0.636085
H -4.950179 0.262444 0.307109
H -3.726021 -1.255849 -1.473555
H 3.806421 -1.307847 1.064119
H 5.581479 -0.123655 -1.070893
H 5.759264 -1.822981 -0.529342
H 6.198076 -0.472469 0.576557


