%chk=000050445.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050445

0 1
 O    1.517700     -0.1670000     -0.3881000    
 O    1.415600      -2.047100      0.9403000    
 N   -1.014100      -2.735000     -6.8000004E-02
 C  -0.4496000      -1.461200     -0.5225000    
 C   -1.375900     -0.3052000     -0.2115000    
 C   0.9191000      -1.289400      0.1163000    
 C    2.829500      0.1111000      0.1118000    
 C    3.346900       1.381600     -0.5451000    
 C   -2.351100      4.4399999E-02  -1.129200    
 C   -1.227600      0.3765000      0.9838000    
 C   -3.205000       1.109500     -0.8427000    
 C   -2.081600       1.441500       1.270300    
 C    4.746200       1.732300     -7.2300002E-02
 C   -3.070200       1.808000      0.3570000    
 H  -0.2794000      -1.533400      -1.604200    
 H    3.491100     -0.7311000     -0.1227000    
 H    2.781600      0.2417000       1.199200    
 H    3.341800       1.260400      -1.635000    
 H    2.662000       2.210900     -0.3313000    
 H   -2.464100     -0.4947000      -2.065300    
 H  -0.4822000      0.1037000       1.724200    
 H   -1.913400      -2.895100     -0.5202000    
 H   -1.197400      -2.698500      0.9342000    
 H    5.453600      0.9320000     -0.3123000    
 H    5.092600       2.649000     -0.5595000    
 H    4.765300       1.894900       1.010100    
 H   -3.975200       1.394500      -1.553400    
 H   -1.980200       1.982800       2.206500    
 H   -3.735900       2.636500      0.5808000    


%chk=000050445-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050445

0 1
O 1.604540 -0.244780 -0.506758
O 1.252558 -1.549047 1.392802
N -0.874857 -2.782836 0.105043
C -0.473664 -1.461650 -0.379786
C -1.464387 -0.310184 -0.077617
C 0.872488 -1.119568 0.277573
C 2.892563 0.250017 0.074371
C 3.530571 1.166838 -0.969056
C -1.794599 0.632902 -1.079951
C -2.056369 -0.193680 1.205175
C -2.707206 1.678162 -0.808572
C -2.962949 0.853450 1.480217
C 4.865849 1.752428 -0.457400
C -3.293506 1.791567 0.473129
H -0.303273 -1.476694 -1.473033
H 3.527000 -0.623734 0.312197
H 2.664827 0.781226 1.017315
H 3.697034 0.594239 -1.900482
H 2.824832 1.982536 -1.213189
H -1.335438 0.548524 -2.072630
H -1.801704 -0.922235 1.983961
H -1.854304 -3.027098 -0.046473
H -0.505787 -3.020980 1.029864
H 5.592907 0.952994 -0.221386
H 5.322343 2.407437 -1.220109
H 4.716627 2.354783 0.458112
H -2.962081 2.398979 -1.593774
H -3.412148 0.939586 2.476338
H -4.001764 2.600418 0.685318


