%chk=000058857.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058857

0 1
 O    1.947300      -2.704500      0.4681000    
 O    3.500000     -0.4864000     -6.8899997E-02
 O    1.793000       3.207100     -0.1249000    
 O    3.583000       1.954800     -0.3415000    
 N    2.356800       2.087300     -0.1166000    
 N   -5.431100      0.3737000      0.8199000    
 N   -2.502300     -0.1751000      -2.505100    
 C  -0.5637000     -5.7000000E-02  0.6800000    
 C    1.579200      0.9284000      0.1578000    
 C    1.387700      -1.462600      0.4476000    
 C    2.166000     -0.3370000      0.1769000    
 C   0.2144000       1.068400      0.4094000    
 C   2.2800000E-02  -1.322500      0.6991000    
 C   -1.987000      8.8299997E-02  0.9421000    
 C   -2.985500      8.0700003E-02  2.4499999E-02
 C    1.970300      -3.425300     -0.7624000    
 C   -4.334000      0.2427000      0.4644000    
 C   -2.716800     -6.1099999E-02  -1.370200    
 H  -0.2653000       2.045300      0.4006000    
 H  -0.5770000      -2.205400      0.9103000    
 H   -2.229800      0.2067000       1.997600    
 H    3.826100      0.2401000     -0.6222000    
 H    2.543500      -2.879700      -1.518500    
 H   0.9515000      -3.604900      -1.120300    
 H    2.454000      -4.389800     -0.5855000    


%chk=000058857-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058857

0 1
O 1.775955 -2.961009 0.662899
O 3.374554 -0.738980 -0.318954
O 1.443560 2.861053 -1.211220
O 3.365021 1.646556 -1.109181
N 2.053816 1.772209 -0.944700
N -5.709758 0.198041 1.029801
N -2.715088 3.119707 -0.477106
C -0.818063 -0.335660 0.258450
C 1.312433 0.612030 -0.444801
C 1.250363 -1.726904 0.305147
C 2.020934 -0.610866 -0.169278
C -0.073710 0.761441 -0.237720
C -0.128421 -1.565112 0.510874
C -2.252116 -0.327252 0.531566
C -3.195846 0.679702 0.393051
C 2.952887 -3.528888 -0.040987
C -4.569629 0.417479 0.741362
C -2.919993 2.008315 -0.083264
H -0.525401 1.728211 -0.467768
H -0.675269 -2.436786 0.886308
H -2.650013 -1.277948 0.911476
H 3.721610 0.173774 -0.663853
H 3.869848 -2.980695 0.217999
H 2.797658 -3.508312 -1.134550
H 2.997767 -4.567905 0.316650


