%chk=000048657.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048657

1 1
 O   -1.303400       1.712400      0.4179000    
 O    3.470200     -0.9641000     -0.2508000    
 N   -1.360800      -1.093100      3.3500001E-02
 C  -5.1399998E-02 -0.3009000      6.0400002E-02
 C   -1.092400      -2.502300      0.5541000    
 C   -1.880700      -1.134000      -1.400800    
 C   -2.437600     -0.4586000      0.9112000    
 C  -0.1310000       1.038100      0.2499000    
 C    1.088200      -1.016500     -0.1090000    
 C    1.070100       1.746900      0.2729000    
 C    2.289400     -0.3078000     -8.5800000E-02
 C    2.280400       1.074000      0.1050000    
 C   -1.940900       2.205800     -0.7584000    
 H  -0.5576000      -3.091000     -0.1968000    
 H  -0.5680000      -2.446500       1.513800    
 H   -2.057800      -2.999400      0.7034000    
 H   -1.115700      -1.590400      -2.037100    
 H   -2.782800      -1.754300      -1.410200    
 H   -2.120700     -0.1350000      -1.755200    
 H   -3.043100      0.2581000      0.3643000    
 H   -3.145500      -1.251300       1.184700    
 H   -2.000800     -9.1499999E-02   1.845500    
 H    1.153100      -2.079200     -0.2955000    
 H    1.070600       2.823300      0.4220000    
 H    3.209100       1.637700      0.1249000    
 H   -2.998300       1.933900     -0.7806000    
 H   -1.446000       1.883400      -1.680500    
 H   -1.890300       3.299300     -0.7269000    
 H    4.197600     -0.3199000     -0.2073000    


%chk=000048657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048657

1 1
O -1.563546 1.457986 -0.533307
O 3.479527 -0.873025 0.391543
N -1.397761 -1.318964 0.074736
C -0.149563 -0.444998 -0.007338
C -1.077017 -2.775744 0.413229
C -2.127319 -1.318027 -1.281850
C -2.333245 -0.790845 1.178889
C -0.274153 0.946634 -0.314065
C 1.116908 -1.009152 0.220569
C 0.899949 1.730860 -0.379481
C 2.280488 -0.207008 0.148709
C 2.170690 1.168255 -0.151567
C -1.705583 2.893051 -0.856032
H -0.437036 -3.207716 -0.369437
H -0.582401 -2.830406 1.393477
H -2.030133 -3.323911 0.452258
H -1.439451 -1.717242 -2.041840
H -3.019348 -1.957824 -1.196583
H -2.411363 -0.286627 -1.524738
H -2.615641 0.240263 0.932008
H -3.221943 -1.439345 1.220672
H -1.788529 -0.823303 2.134193
H 1.267425 -2.062841 0.458181
H 0.830689 2.796501 -0.610867
H 3.061159 1.804005 -0.209003
H -2.786405 3.048060 -0.979063
H -1.181425 3.135935 -1.797603
H -1.328411 3.520297 -0.028691
H 4.267339 -0.277768 0.331600


