%chk=000140617.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140617

0 1
 O   -3.305000      -1.668100      0.9957000    
 O   -1.458600     -0.1694000      -2.010900    
 O   -2.794200       1.956900       1.798200    
 O    1.089100       2.209300      0.2428000    
 O    1.976200     -0.8187000      -1.934100    
 O    3.696400      0.2999000       2.140800    
 O   -3.758900      -1.037000      -1.054400    
 O   -1.418200       1.916200      -1.331000    
 O   -4.088800       1.778700      3.5999998E-02
 O    2.249400       1.779300      -1.567200    
 O    3.564200      -1.646600     -0.6665000    
 O    4.557400       1.031900      0.2604000    
 O  -0.2550000      -2.842900       1.291600    
 O  -0.3717000      -2.469300     -0.8750000    
 N   2.6400000E-02 -0.7502000      0.5195000    
 N   -3.186800     -0.8930000      3.4499999E-02
 N   -1.679600      0.7148000      -1.171500    
 N   -3.118700       1.430400      0.7230000    
 N    1.862800       1.504700     -0.4231000    
 N    2.664600     -0.8271000     -0.9038000    
 N    3.633400      0.5454000      0.9265000    
 N  -0.2306000      -2.105700      0.2988000    
 C   -1.061500      1.2700000E-02   1.138700    
 C    1.309900     -0.4373000       1.151700    
 C   -2.240200      0.2957000      0.1884000    
 C    2.338000      0.1895000      0.1910000    
 H  -0.6625000      0.9869000       1.445000    
 H   -1.389600     -0.4590000       2.075400    
 H    1.746100      -1.348500       1.589000    
 H    1.171500      0.2186000       2.023700    


%chk=000140617-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000140617

0 1
O -3.871018 -1.174441 1.031332
O -0.952071 -0.252829 -1.797945
O -2.298317 2.328191 1.546860
O 0.684467 1.939140 0.130340
O 2.081981 -0.815329 -2.013277
O 3.644180 0.608884 2.194150
O -3.739614 -0.985289 -1.246386
O -1.816842 1.863398 -1.655651
O -4.117645 1.808240 0.267690
O 2.340769 1.943629 -1.450421
O 3.670986 -1.652062 -0.586229
O 4.605865 1.009079 0.154737
O 0.949572 -2.901243 0.153636
O -1.328840 -2.609451 0.172140
N 0.044309 -0.843994 0.749003
N -3.372391 -0.735843 -0.060770
N -1.605930 0.682115 -1.220593
N -2.947372 1.604977 0.718934
N 1.730213 1.460744 -0.448286
N 2.738863 -0.851520 -0.927325
N 3.658116 0.638002 0.913970
N -0.120625 -2.222015 0.334547
C -1.173333 -0.178937 1.218085
C 1.378357 -0.476574 1.240224
C -2.194621 0.304472 0.158821
C 2.318057 0.167952 0.197787
H -0.866232 0.724794 1.768841
H -1.749483 -0.839830 1.896286
H 1.896044 -1.378545 1.616084
H 1.278053 0.232384 2.076615


