%chk=000121622.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121622

0 1
 O    2.451300      -2.420700      2.5800001E-02
 O    2.260400       2.363200      0.1518000    
 O    3.653500      3.6899999E-02 -0.4099000    
 O   -4.184700      0.8897000     -0.9429000    
 N   -3.560300      -2.527600     -0.3007000    
 C  -0.2180000     -0.1573000       1.081000    
 C   -1.608000     -0.2265000       1.616600    
 C   0.3835000       1.081700      0.8618000    
 C   0.4803000      -1.331400      0.7990000    
 C    1.780400      -1.266400      0.2977000    
 C    1.683600       1.146800      0.3605000    
 C    2.382200     -2.7100001E-02  7.8599997E-02
 C   -2.680000     -0.2411000      0.5394000    
 C   -3.206400      0.8757000      1.3600000E-02
 C    2.312100      -2.956800      -1.288500    
 C    1.478300       3.513800      0.4656000    
 C    3.836200      0.7133000      -1.651600    
 C   -3.168800      -1.501600      7.4299999E-02
 C   -4.075400       2.035300      -1.772200    
 H   -1.718400      -1.107700       2.263700    
 H   -1.783000      0.6236000       2.291300    
 H  -0.2068000       1.960500       1.098800    
 H   1.6700000E-02  -2.300400      0.9681000    
 H   -2.893800       1.861700      0.3334000    
 H    2.679700      -2.247500      -2.036500    
 H    1.265900      -3.207700      -1.491000    
 H    2.909100      -3.870600      -1.350600    
 H    1.240700       3.561800       1.533900    
 H   0.5850000       3.579400     -0.1649000    
 H    2.092000       4.391700      0.2377000    
 H    4.137700       1.749200      -1.473400    
 H    2.937700      0.6795000      -2.277700    
 H    4.646000      0.2134000      -2.191100    
 H   -4.830000       1.958200      -2.560700    
 H   -3.089700       2.086200      -2.248200    
 H   -4.271500       2.951300      -1.204100    


%chk=000121622-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121622

0 1
O 2.474033 -2.692035 0.699123
O 2.172342 2.038854 -0.565446
O 3.780097 -0.152103 -0.028451
O -4.447714 1.969811 -0.664035
N -2.768110 -0.406143 -2.870110
C -0.450847 -0.484985 0.381174
C -1.955694 -0.604796 0.634421
C 0.120514 0.747215 -0.022469
C 0.381234 -1.597558 0.592089
C 1.785763 -1.507333 0.411677
C 1.516373 0.849870 -0.197508
C 2.375354 -0.272865 0.019498
C -2.837699 0.206528 -0.311272
C -3.646015 1.205890 0.166730
C 3.791512 -2.969373 0.101616
C 1.346049 3.232831 -0.757637
C 4.367527 0.231197 -1.330644
C -2.810577 -0.108611 -1.710652
C -5.377197 2.894806 0.008060
H -2.238872 -1.673280 0.575967
H -2.177360 -0.280572 1.671927
H -0.530999 1.606585 -0.204239
H -0.028672 -2.569266 0.885572
H -3.671869 1.438818 1.242643
H 4.572426 -2.332621 0.544634
H 3.769088 -2.819839 -0.995063
H 3.973818 -4.032077 0.327074
H 0.809779 3.501228 0.173110
H 0.617717 3.091296 -1.579261
H 2.054770 4.031942 -1.020964
H 4.014305 1.229566 -1.635595
H 4.111439 -0.516590 -2.107674
H 5.455696 0.242400 -1.163095
H -5.852589 3.467866 -0.800306
H -4.833257 3.581496 0.684730
H -6.144865 2.334348 0.572976


