%chk=000045874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045874

0 1
 O    3.623300      0.1387000     -9.4499998E-02
 O   -2.370600       2.001100      0.8796000    
 N   -2.325500     -0.8154000      0.4718000    
 C   -1.189900      -1.023100     -0.4333000    
 C  -0.7378000      -2.481500     -0.2547000    
 C  -5.9599999E-02 -2.1800000E-02 -0.2456000    
 C   0.5605000      -2.738300      -1.006300    
 C    1.676600      -1.884100     -0.4156000    
 C    1.289400     -0.4338000     -0.2666000    
 C  -0.3396000       1.352500     -0.1329000    
 C    2.311700      0.5166000     -0.1071000    
 C   0.6861000       2.288000      1.1700000E-02
 C   -1.890500     -0.9267000       1.861100    
 C   -3.383700      -1.779400      0.1831000    
 C    2.011200       1.869400      3.2000002E-02
 C   -1.705600       1.869600     -0.1642000    
 C   -2.344400       2.259800      -1.489900    
 C    4.188300     -0.1916000       1.171400    
 H   -1.527400     -0.8929000      -1.471800    
 H   -1.474900      -3.182100     -0.6637000    
 H  -0.5520000      -2.772900      0.7833000    
 H   0.4270000      -2.504100      -2.070100    
 H   0.8340000      -3.797700     -0.9422000    
 H    2.556100      -1.981800      -1.062800    
 H    1.942100      -2.275600      0.5738000    
 H   0.4623000       3.347600      0.1073000    
 H   -2.698200     -0.5507000       2.502400    
 H   -1.022100     -0.3094000       2.110600    
 H   -1.698000      -1.948700       2.202600    
 H   -3.626100      -1.804500     -0.8856000    
 H   -4.301400      -1.458000      0.6906000    
 H   -3.181800      -2.798600      0.5303000    
 H    2.805300       2.601900      0.1478000    
 H   -1.654400       2.071200      -2.317200    
 H   -2.589600       3.324600      -1.471000    
 H   -3.246800       1.662600      -1.643500    
 H    4.253200      0.7021000       1.800100    
 H    5.199000     -0.5748000       1.005700    
 H    3.602400     -0.9622000       1.680900    


%chk=000045874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045874

0 1
O 3.667961 -0.304483 0.299109
O -2.263399 2.170076 1.165783
N -2.352170 -0.751607 0.285845
C -1.148815 -1.210067 -0.461777
C -0.747596 -2.694546 -0.263254
C 0.006059 -0.257539 -0.133730
C 0.577777 -2.968066 -1.006963
C 1.732755 -2.150947 -0.387759
C 1.346860 -0.707700 -0.091123
C -0.324515 1.090475 0.184582
C 2.361826 0.223780 0.277919
C 0.698574 1.978410 0.576026
C -2.315198 -0.899398 1.754042
C -3.647192 -1.139264 -0.297975
C 2.046929 1.559562 0.613002
C -1.755133 1.603906 0.144898
C -2.387542 1.791549 -1.237863
C 4.756322 0.596442 0.682350
H -1.406816 -1.086045 -1.537274
H -1.552541 -3.354839 -0.638128
H -0.614697 -2.907946 0.815644
H 0.456201 -2.696420 -2.075426
H 0.826176 -4.045530 -0.976451
H 2.619596 -2.163457 -1.048148
H 2.067757 -2.630486 0.555100
H 0.433779 3.002603 0.859410
H -3.030997 -0.185112 2.199795
H -1.314071 -0.635433 2.131364
H -2.568074 -1.928704 2.093194
H -3.659816 -0.905578 -1.377427
H -4.451252 -0.559348 0.190580
H -3.882581 -2.221787 -0.172428
H 2.825396 2.267783 0.910884
H -2.090264 1.009875 -1.957320
H -2.044350 2.764443 -1.644240
H -3.486045 1.830627 -1.149919
H 4.837200 1.451760 -0.016526
H 5.669044 -0.015227 0.627173
H 4.621450 0.974237 1.714535


