%chk=000045247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045247

0 1
 O   0.4503000       1.111200     -0.5753000    
 O    1.389300       2.012300       1.323500    
 O    6.092400      3.5000001E-03  0.7316000    
 N   -2.834300     -1.5300000E-02 -0.3537000    
 C   -3.282800      -1.424300     -0.2669000    
 C   -4.021500      -1.669900       1.064200    
 C   -3.971500      0.9137000     -0.2290000    
 C   -5.187300     -0.7081000       1.253700    
 C   -4.713800      0.7279000       1.092300    
 C   -2.115400      0.2698000      -1.598800    
 C   -2.119700      -2.422400     -0.3590000    
 C   -1.624900       1.714100      -1.608200    
 C  -0.6639000       1.985300     -0.4586000    
 C    1.407900       1.230200      0.3858000    
 C    2.513200      0.2671000      0.1506000    
 C    3.788200      0.6016000      0.5590000    
 C    2.231300     -0.9328000     -0.4700000    
 C    4.826300     -0.3033000      0.3376000    
 C    3.269400      -1.837600     -0.6915000    
 C    4.566900      -1.522800     -0.2876000    
 H   -3.977700      -1.639300      -1.090800    
 H   -3.323100      -1.560300       1.904800    
 H   -4.400100      -2.698600       1.099300    
 H   -4.670700      0.7912000      -1.066700    
 H   -3.657500       1.959800     -0.2109000    
 H   -5.633900     -0.8484000       2.244200    
 H   -5.967400     -0.9253000      0.5139000    
 H   -5.573400       1.406500       1.134800    
 H   -4.054100      0.9940000       1.928200    
 H   -1.245600     -0.3842000      -1.714400    
 H   -2.758600      9.8800004E-02  -2.471600    
 H   -2.462900      -3.439000     -0.1358000    
 H   -1.687100      -2.453200      -1.363700    
 H   -1.324300      -2.175600      0.3532000    
 H   -1.068900       1.847200      -2.546800    
 H   -2.423500       2.459200      -1.650300    
 H   -1.148800       1.853000      0.5149000    
 H  -0.3117000       3.021300     -0.5296000    
 H    3.996900       1.551400       1.043500    
 H    1.227900      -1.207700     -0.7812000    
 H    3.067100      -2.788700      -1.175300    
 H    5.366700      -2.236900     -0.4651000    
 H    6.682000     -0.7348000      0.5003000    


%chk=000045247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045247

0 1
O 0.554350 1.009599 -0.680669
O 1.520453 1.729341 1.313898
O 5.962216 -0.786335 1.400125
N -3.121667 0.081485 -0.334819
C -3.281495 -1.344386 0.103611
C -4.106346 -1.386493 1.417395
C -4.441857 0.745861 -0.518038
C -5.472413 -0.681465 1.288076
C -5.268178 0.760165 0.779666
C -2.264807 0.283661 -1.533916
C -1.923578 -2.043173 0.332045
C -1.607933 1.685179 -1.550403
C -0.627385 1.884157 -0.396910
C 1.575717 1.033573 0.269037
C 2.720028 0.149617 -0.113699
C 3.808739 0.068395 0.785478
C 2.733791 -0.582433 -1.330931
C 4.913094 -0.748320 0.466187
C 3.845589 -1.393726 -1.635985
C 4.939105 -1.483979 -0.744708
H -3.853825 -1.919733 -0.674877
H -3.509036 -0.895243 2.211413
H -4.245591 -2.444948 1.711296
H -5.033871 0.230847 -1.321844
H -4.269561 1.782278 -0.860587
H -6.001710 -0.685705 2.259912
H -6.110409 -1.237300 0.569613
H -6.241134 1.254351 0.591838
H -4.730038 1.353798 1.543635
H -1.454365 -0.461871 -1.532827
H -2.843156 0.137292 -2.480581
H -2.088005 -3.001764 0.857016
H -1.385355 -2.272845 -0.603968
H -1.271000 -1.411020 0.961780
H -1.081800 1.833675 -2.513140
H -2.380128 2.475479 -1.481804
H -1.076113 1.572190 0.562434
H -0.269186 2.925818 -0.312496
H 3.791920 0.637299 1.719395
H 1.885718 -0.503904 -2.014998
H 3.868071 -1.961521 -2.572253
H 5.800943 -2.118284 -0.990729
H 6.691605 -1.379012 1.090928


