%chk=000161730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161730

0 1
 O    1.464500     -0.1444000     -0.9948000    
 O    3.327700       1.951000      0.2340000    
 O    2.547900      -2.691000     -0.5534000    
 O   -3.404200     -0.8862000       1.495100    
 O   -1.702400       2.407600     -0.6033000    
 N  -0.7193000      0.3222000     -0.2961000    
 N   -3.065600      0.6189000     -0.2540000    
 C   0.6201000      0.8289000     -0.3640000    
 C    1.210300       1.120600       1.006100    
 C    2.676500      0.8167000      0.8019000    
 C    2.654900     -0.3258000     -0.2039000    
 C  -0.8634000      -1.097300      2.7600000E-02
 C   -2.198100      -1.653300     -0.4422000    
 C    2.573800      -1.695800      0.4569000    
 C   -3.311500     -0.7684000      8.2199998E-02
 C   -1.811100       1.196100     -0.3923000    
 H   0.6484000       1.733400     -0.9829000    
 H   0.7982000      0.4529000       1.771200    
 H    1.010800       2.151100       1.316800    
 H    3.192600      0.5731000       1.735300    
 H    3.504300     -0.2925000     -0.8953000    
 H  -0.7553000      -1.208400       1.111900    
 H  -9.1600001E-02  -1.693700     -0.4619000    
 H   -2.222000      -1.665800      -1.538900    
 H   -2.314600      -2.682600     -8.5900001E-02
 H    1.677100      -1.809300       1.071600    
 H    3.452800      -1.868200       1.086400    
 H   -4.274300      -1.057300     -0.3507000    
 H   -3.870500       1.234900     -0.3142000    
 H    4.254000       1.703000      7.2400004E-02
 H    2.504100      -3.552800     -0.1053000    
 H   -4.010800     -0.1880000       1.794300    


%chk=000161730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161730

0 1
O 1.324735 -0.313158 -0.807487
O 3.205385 2.016075 0.448288
O 3.307668 -2.541277 -1.056276
O -4.030771 -0.568963 1.277243
O -1.543722 2.245899 -1.198329
N -0.845236 0.327849 -0.020719
N -3.116211 0.624219 -0.665665
C 0.544063 0.742553 -0.071531
C 1.272269 0.864740 1.285451
C 2.746345 0.690879 0.896750
C 2.702866 -0.342129 -0.273132
C -1.192364 -0.959682 0.627588
C -2.373705 -1.629199 -0.092602
C 3.075144 -1.762019 0.164936
C -3.554855 -0.652784 -0.127233
C -1.802216 1.128521 -0.655417
H 0.584825 1.689303 -0.634902
H 0.957856 0.063456 1.977773
H 1.100415 1.843670 1.758640
H 3.378979 0.335620 1.736109
H 3.396218 -0.042401 -1.086047
H -1.461864 -0.799448 1.689424
H -0.301142 -1.607779 0.569393
H -2.092693 -1.906230 -1.123716
H -2.679473 -2.536699 0.453595
H 2.251672 -2.190142 0.775717
H 4.001823 -1.726354 0.781539
H -4.381487 -1.032385 -0.760653
H -3.775140 1.233405 -1.152632
H 4.072194 1.925896 -0.022953
H 3.367202 -3.503542 -0.833167
H -4.635479 0.211705 1.364612


