%chk=000101518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101518

0 1
 O    2.468600      0.5614000      0.9661000    
 O    1.926900      -2.191200      -1.281300    
 O    4.137100      -1.894700      0.2719000    
 O    4.001500       2.854300      0.4606000    
 O   -4.059100       2.126100     -0.4737000    
 N   0.2749000      9.4700001E-02  0.1914000    
 N   -1.336400       1.581700     -0.2220000    
 N   -1.076800      -1.891800      0.5503000    
 N   -3.455700      -1.402400      0.3114000    
 N   -4.270900      0.7856000     -0.2135000    
 C    2.301300     -0.8819000     -0.9042000    
 C    1.618900     -0.4454000      0.3833000    
 C    3.764300     -0.7692000     -0.5233000    
 C    3.776600      0.4786000      0.3542000    
 C    4.018800       1.757200     -0.4357000    
 C  -0.9052000     -0.5900000      0.2754000    
 C  -3.7900001E-02   1.395300     -0.1089000    
 C   -1.890600      0.3490000      1.5699999E-02
 C   -3.207700     -9.8300003E-02  4.0100001E-02
 C   -2.390500      -2.206200      0.5462000    
 C   -5.658100      0.3872000     -0.2038000    
 H    2.068600     -0.1990000      -1.729500    
 H    1.530300      -1.265700       1.106200    
 H    4.436200     -0.7307000      -1.385400    
 H    4.500900      0.4044000       1.173300    
 H    3.242500       1.930100      -1.187600    
 H    4.992500       1.734200     -0.9337000    
 H    2.185000      -2.795900     -0.5649000    
 H    5.064100      -1.767800      0.5371000    
 H   0.7145000       2.161300     -0.2389000    
 H    3.133200       2.861500      0.8985000    
 H   -2.625900      -3.243300      0.7597000    
 H   -5.945100      1.3900000E-02  0.7848000    
 H   -5.839500     -0.4001000     -0.9430000    
 H   -6.316700       1.228200     -0.4465000    
 H   -4.105800       2.514300      0.4169000    


%chk=000101518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101518

0 1
O 2.314800 0.560710 0.891234
O 2.074431 -1.934402 -1.831077
O 4.058833 -1.986545 -0.078979
O 3.958959 2.821533 1.106953
O -4.165716 1.869483 -0.913079
N 0.199412 0.055556 -0.090229
N -1.520964 1.391161 -0.768040
N -1.125734 -1.732130 1.057723
N -3.556768 -1.289761 0.934182
N -4.408494 0.651756 -0.173725
C 2.379821 -0.698919 -1.157126
C 1.539429 -0.450450 0.132598
C 3.829730 -0.630965 -0.606529
C 3.761264 0.439584 0.504573
C 4.215005 1.838990 0.059334
C -0.979303 -0.569859 0.358872
C -0.186576 1.230536 -0.758258
C -2.021881 0.270475 -0.078778
C -3.360555 -0.117305 0.225728
C -2.450492 -2.005023 1.298418
C -5.823787 0.397805 0.045240
H 2.202141 0.108526 -1.887837
H 1.436460 -1.384418 0.716827
H 4.569191 -0.384817 -1.392895
H 4.317455 0.129337 1.408942
H 3.701523 2.118120 -0.888126
H 5.306323 1.860167 -0.107162
H 2.539355 -2.659529 -1.330363
H 4.999614 -2.108866 0.194638
H 0.529686 1.928776 -1.180298
H 3.018674 2.703256 1.404594
H -2.651516 -2.923256 1.858458
H -5.903197 -0.542731 0.611700
H -6.346848 0.303330 -0.922989
H -6.273921 1.226980 0.619278
H -3.141552 1.958296 -1.016602


