%chk=000035448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035448

0 1
 O   -4.901700      -1.675600     -0.7496000    
 O   -2.122800       1.018700       1.443700    
 N   -2.883400      0.3152000     -0.6363000    
 C    1.831200     -8.6400002E-02  0.3228000    
 C    2.731700      0.8252000     -0.2584000    
 C   -4.283800      0.6139000     -0.4370000    
 C   0.4942000      0.2866000      0.6819000    
 C    2.269000      -1.402700      0.5536000    
 C    4.026600      0.4327000     -0.5972000    
 C    2.320400       2.237200     -0.5265000    
 C    3.564000      -1.795100      0.2150000    
 C    4.442700     -0.8775000     -0.3605000    
 C  -0.5597000      0.1458000     -0.1363000    
 C   -5.009200     -0.5841000      0.1548000    
 C   -1.919100      0.5462000      0.3301000    
 H   -4.693600      0.8625000      -1.421300    
 H   -4.383000       1.483300      0.2204000    
 H   0.3787000      0.6955000       1.682000    
 H    1.600400      -2.134900       1.002300    
 H    4.724700       1.133800      -1.046900    
 H    3.153300       2.837700     -0.9089000    
 H    1.524500       2.269400      -1.277700    
 H    1.974000       2.721500      0.3927000    
 H   -2.615300     -8.4600002E-02  -1.531100    
 H    3.888200      -2.815200      0.3993000    
 H  -0.4494000     -0.2633000      -1.135600    
 H    5.450900      -1.183300     -0.6243000    
 H   -6.070200     -0.3594000      0.2966000    
 H   -4.583700     -0.8857000       1.117300    
 H   -3.955900      -1.875600     -0.8547000    


%chk=000035448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035448

0 1
O -5.169648 -1.389829 1.102981
O -2.196972 1.563424 -0.068796
N -3.054006 -0.465899 -0.815720
C 1.872866 0.024961 -0.243683
C 2.912030 0.945957 0.126228
C -4.444652 0.022927 -0.822716
C 0.469500 0.462944 -0.218055
C 2.233568 -1.300422 -0.627199
C 4.257565 0.503221 0.097108
C 2.608231 2.375741 0.545471
C 3.575078 -1.721369 -0.649870
C 4.597147 -0.813089 -0.284760
C -0.644095 -0.259732 -0.547264
C -5.087356 -0.018225 0.579313
C -1.993366 0.365030 -0.452462
H -5.028764 -0.610357 -1.513548
H -4.451330 1.065796 -1.191135
H 0.265026 1.493245 0.102418
H 1.449030 -2.011033 -0.909962
H 5.051810 1.204459 0.378933
H 3.540176 2.917474 0.778132
H 2.084685 2.937351 -0.250346
H 1.966029 2.414940 1.445073
H -2.856569 -1.399421 -1.178512
H 3.826371 -2.745169 -0.947598
H -0.582898 -1.302698 -0.886506
H 5.646710 -1.127255 -0.297401
H -6.131794 0.329800 0.519160
H -4.524364 0.644539 1.264994
H -4.246306 -1.705511 1.275921


