%chk=000032490.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032490

0 1
 O   -2.063700      0.2198000     -0.3402000    
 O   -1.430500      -1.876900      0.3512000    
 N    3.479000      0.7489000     -0.1849000    
 N   7.6200001E-02 -0.4143000     -0.6376000    
 C    2.048100      -1.076200      0.6873000    
 C    2.597200      0.3373000      0.9006000    
 C    1.242700      -1.253000     -0.5984000    
 C    4.630400     -0.1500000     -0.2828000    
 C    3.927600       2.128800      9.9999998E-03
 C   -3.397100     -3.9999999E-02  0.1126000    
 C   -4.257300       1.183600     -0.1635000    
 C   -1.165200     -0.7939000     -0.1600000    
 C   -5.687600      0.9861000      0.3059000    
 H    2.846100      -1.825600      0.7279000    
 H    1.395200      -1.306200       1.540200    
 H    3.118000      0.3729000       1.866800    
 H    1.752600       1.033700      0.9768000    
 H    1.844500      -1.023700      -1.483300    
 H   0.9241000      -2.298300     -0.6806000    
 H   0.1677000      0.5156000      -1.035300    
 H    5.162200     -0.2530000      0.6701000    
 H    5.345300      0.2280000      -1.023900    
 H    4.346400      -1.143300     -0.6429000    
 H    4.507300       2.248900      0.9325000    
 H    3.070400       2.810300      4.9199998E-02
 H    4.547100       2.455300     -0.8327000    
 H   -3.377600     -0.2524000       1.188000    
 H   -3.797000     -0.9103000     -0.4209000    
 H   -3.820800       2.059300      0.3316000    
 H   -4.244600       1.407200      -1.236900    
 H   -5.724600      0.8002000       1.384200    
 H   -6.282900       1.879800      9.4800003E-02
 H   -6.154600      0.1383000     -0.2053000    


%chk=000032490-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032490

0 1
O -1.763736 0.205950 -0.233137
O -1.475019 -2.076555 0.305082
N 2.997215 0.746891 -0.105091
N 0.314716 -0.706328 -0.373076
C 2.326838 -1.475169 0.931285
C 2.679719 0.015225 1.150834
C 1.377325 -1.710389 -0.274103
C 4.225137 0.251795 -0.765962
C 3.060976 2.209471 0.118191
C -3.215777 0.049656 0.035601
C -3.865013 1.412049 -0.217643
C -0.995578 -0.970665 -0.066564
C -5.389264 1.364199 0.031346
H 3.240363 -2.082728 0.779648
H 1.850847 -1.844464 1.859570
H 3.515610 0.088246 1.893355
H 1.805214 0.519232 1.603835
H 1.958919 -1.686385 -1.214251
H 0.899144 -2.701395 -0.192687
H 0.599671 0.238275 -0.644093
H 5.140775 0.384907 -0.136207
H 4.379124 0.796017 -1.714757
H 4.128415 -0.821284 -1.002970
H 3.888019 2.513354 0.807829
H 2.108406 2.563155 0.551893
H 3.213000 2.726741 -0.846038
H -3.355653 -0.286557 1.080461
H -3.624256 -0.732735 -0.631638
H -3.394423 2.164708 0.442725
H -3.657760 1.722637 -1.258943
H -5.616681 1.070882 1.073435
H -5.848546 2.352430 -0.148660
H -5.883126 0.635739 -0.638770


