%chk=000107573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107573

0 1
 O    3.825200       1.346500      0.1482000    
 O   -1.335000      7.9899997E-02  0.1950000    
 O    2.348800       1.510900      -1.616700    
 O    2.228300      -2.974300       1.054500    
 O   0.2686000      0.7530000       1.695200    
 N   0.8216000     -0.3550000     -0.2672000    
 N    3.264300      -3.947300     -0.7520000    
 C    2.252100     -0.3851000     -9.5799997E-02
 C    2.886900      -1.571000     -0.8156000    
 C    2.796600      0.9189000     -0.6430000    
 C    2.746100      -2.877000     -5.4000001E-02
 C  -5.0299998E-02  0.2112000      0.6419000    
 C   -2.350400      0.6261000       1.044400    
 C   -3.692000      0.3995000      0.4119000    
 C    4.407800       2.600200     -0.2218000    
 C   -4.224500       1.353700     -0.4552000    
 C   -4.406800     -0.7655000      0.6906000    
 C    5.524400       2.929800      0.7458000    
 C   -5.471500       1.143100      -1.043400    
 C   -5.654000     -0.9761000      0.1022000    
 C   -6.186300     -2.1700000E-02 -0.7648000    
 H    2.457300     -0.4163000      0.9815000    
 H    3.962500      -1.394800     -0.9481000    
 H    2.455300      -1.698600      -1.816500    
 H   0.4273000     -0.7271000      -1.126300    
 H   -2.309400      0.1427000       2.028400    
 H   -2.175700       1.699800       1.186700    
 H    4.808100       2.530700      -1.239400    
 H    3.642400       3.383400     -0.1845000    
 H   -3.676200       2.264200     -0.6819000    
 H   -4.001700      -1.517300       1.362700    
 H    3.688800      -3.843800      -1.668200    
 H    3.238200      -4.884600     -0.3645000    
 H    5.993100       3.884600      0.4917000    
 H    6.288900       2.146100      0.7332000    
 H    5.142500       2.984800       1.770600    
 H   -5.885800       1.885800      -1.719000    
 H   -6.210300      -1.883300      0.3186000    
 H   -7.157100     -0.1858000      -1.223000    


%chk=000107573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107573

0 1
O 4.109912 1.394150 0.063767
O -1.419300 0.077121 0.179379
O 2.202000 2.110616 -1.071358
O 2.606190 -2.691951 1.370408
O 0.106985 0.534032 1.922944
N 0.801174 -0.194485 -0.206275
N 2.574633 -3.703594 -0.717358
C 2.229357 -0.107049 0.068077
C 3.008021 -1.271944 -0.592443
C 2.801879 1.251221 -0.389975
C 2.700501 -2.602855 0.113696
C -0.132808 0.177464 0.742653
C -2.530577 0.474608 1.104750
C -3.832017 0.210454 0.388036
C 4.790433 2.687871 -0.267747
C -4.350390 1.153946 -0.535128
C -4.554587 -0.984924 0.627370
C 6.170447 2.637060 0.378078
C -5.565468 0.905334 -1.210536
C -5.772393 -1.236273 -0.044101
C -6.280007 -0.291142 -0.965433
H 2.365222 -0.187253 1.162736
H 4.089009 -1.072146 -0.476024
H 2.790921 -1.321632 -1.677208
H 0.472367 -0.301916 -1.166834
H -2.433887 -0.114600 2.033376
H -2.395264 1.542629 1.354061
H 4.836034 2.782059 -1.367975
H 4.166527 3.510861 0.124198
H -3.796977 2.081398 -0.725441
H -4.160301 -1.719643 1.339790
H 2.624114 -3.630909 -1.731692
H 2.405268 -4.615271 -0.291935
H 6.714236 3.576710 0.170587
H 6.764983 1.797085 -0.020259
H 6.087897 2.517515 1.471526
H -5.956828 1.641635 -1.921402
H -6.323761 -2.162771 0.151280
H -7.225445 -0.483109 -1.485389


