%chk=000048511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048511

1 1
 O    3.519300       2.479600       1.426000    
 O   -5.107000      0.2756000     -0.7841000    
 O   -4.306500       2.101100      0.1357000    
 N    1.685300      -1.767300     -2.2299999E-02
 N   -4.192100      0.8943000     -0.1886000    
 C   0.6342000      -1.862200       1.081800    
 C    2.086600     -0.3197000     -0.3161000    
 C    1.098400      -2.381200      -1.290300    
 C    2.922300      -2.537000      0.4315000    
 C  -0.6361000      -1.137100      0.7481000    
 C    2.616100      0.3897000      0.7093000    
 C    1.880100      0.1295000      -1.577400    
 C   -1.659900      -1.808900      8.9100003E-02
 C  -0.7786000      0.2005000       1.100700    
 C    2.983100       1.708400      0.4412000    
 C    2.246900       1.448500      -1.845300    
 C    2.798400       2.237900     -0.8360000    
 C   -2.840800      -1.134400     -0.2217000    
 C   -1.959300      0.8750000      0.7898000    
 C   -2.990400      0.2076000      0.1285000    
 H    1.066700      -1.485200       2.017100    
 H   0.4318000      -2.929100       1.248600    
 H    1.892100      -2.479000      -2.040700    
 H   0.7732000      -3.398400      -1.040400    
 H   0.2382000      -1.824500      -1.669300    
 H    3.256600      -2.172200       1.406800    
 H    2.651100      -3.594600      0.5125000    
 H    3.705900      -2.414200     -0.3231000    
 H    2.763000     -5.1000002E-03   1.707700    
 H    1.477400     -0.4073000      -2.423500    
 H   -1.564800      -2.857600     -0.1781000    
 H  -7.9999998E-04  0.7310000       1.640300    
 H    2.106900       1.861400      -2.840400    
 H    3.080200       3.263700      -1.057800    
 H   -3.623800      -1.687100     -0.7345000    
 H   -2.043000       1.918300       1.083200    
 H    3.712500       3.362000       1.065300    


%chk=000048511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048511

1 1
O 3.860659 2.305430 1.578255
O -5.440538 -0.035259 -0.592616
O -4.564756 2.013088 -0.084741
N 1.692384 -1.735154 -0.085294
N -4.483604 0.734667 -0.208920
C 0.605635 -1.766621 1.067537
C 2.150856 -0.302867 -0.353092
C 1.115093 -2.406787 -1.326559
C 2.893373 -2.577245 0.375635
C -0.705907 -1.105072 0.710024
C 2.790377 0.381097 0.700364
C 1.947074 0.305239 -1.608554
C -1.807314 -1.898317 0.290237
C -0.870458 0.299437 0.845686
C 3.241762 1.705399 0.489579
C 2.408019 1.630063 -1.797870
C 3.051679 2.337780 -0.766119
C -3.049246 -1.305444 -0.012110
C -2.103897 0.908697 0.544123
C -3.170328 0.093304 0.113352
H 1.088027 -1.279495 1.928940
H 0.470541 -2.838202 1.293443
H 1.888027 -2.445193 -2.107851
H 0.814745 -3.429609 -1.052835
H 0.235875 -1.851231 -1.677010
H 3.269145 -2.196270 1.334523
H 2.569579 -3.623135 0.492450
H 3.684689 -2.502979 -0.384605
H 2.973498 -0.052481 1.687845
H 1.450772 -0.200640 -2.437796
H -1.705878 -2.987821 0.220469
H -0.039170 0.918275 1.198730
H 2.256693 2.112325 -2.768101
H 3.400906 3.362679 -0.935469
H -3.913062 -1.895804 -0.328853
H -2.257651 1.986299 0.644740
H 4.175599 3.223846 1.386062


