%chk=000005597.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005597

0 1
 O   -1.321400       1.644700       1.406200    
 O    3.583200       2.171600      0.3430000    
 O    2.538100      -2.453600     -0.3271000    
 O    4.405200     -0.4115000     -0.2252000    
 N   -5.336600       1.067600     -0.7643000    
 N   -1.920300     -0.1809000      0.1075000    
 C   -3.348100     -1.7400000E-02  0.2345000    
 C   -4.055500      -1.373700      0.1985000    
 C   -5.569700      -1.187700      0.2191000    
 C   -3.884500      0.9101000     -0.8598000    
 C   -6.023200     -0.2199000     -0.8716000    
 C   -1.015000      0.6776000      0.7137000    
 C   0.4209000      0.3893000      0.4644000    
 C   0.8013000     -0.9067000      0.1842000    
 C    1.328600       1.426700      0.5215000    
 C    2.676800       1.156000      0.2878000    
 C    2.149400      -1.177700     -4.9400002E-02
 C    3.087300     -0.1463000      2.3000001E-03
 C    3.845100       2.873200     -0.8707000    
 C    2.894000      -3.278200      0.7808000    
 C    4.744400     -0.9630000      -1.495400    
 H   -3.546600      0.4475000       1.209800    
 H   -3.741800      -1.990000       1.049400    
 H   -3.769600      -1.923600     -0.7078000    
 H   -6.063100      -2.156800      8.3999999E-02
 H   -5.877100     -0.8063000       1.201100    
 H   -3.419800       1.898700     -0.7658000    
 H   -3.611800      0.5335000      -1.854400    
 H   -5.850800     -0.6573000      -1.862600    
 H   -7.102100     -5.4400001E-02 -0.7781000    
 H   -5.657700       1.682900      -1.511300    
 H   -1.598400     -0.8861000     -0.5470000    
 H   0.1022000      -1.737000      0.1687000    
 H    1.017600       2.444700      0.7391000    
 H    2.934000       3.356000      -1.238400    
 H    4.243900       2.194900      -1.631500    
 H    4.591500       3.645400     -0.6656000    
 H    2.037600      -3.412100       1.449200    
 H    3.735600      -2.844600       1.330200    
 H    3.194500      -4.256800      0.3965000    
 H    5.723200     -0.5679000      -1.783000    
 H    4.023900     -0.6871000      -2.273400    
 H    4.827800      -2.050800      -1.421900    


%chk=000005597-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005597

0 1
O -1.535969 1.926557 0.745835
O 3.363410 2.372215 -0.568274
O 2.534595 -2.504957 -0.225058
O 4.383412 -0.329569 -0.700110
N -5.626970 0.972413 -0.699204
N -2.107717 -0.200260 0.001822
C -3.555853 -0.007819 0.206941
C -4.264128 -1.378219 0.304691
C -5.795933 -1.201272 0.439657
C -4.179782 0.837341 -0.937649
C -6.346231 -0.316125 -0.700635
C -1.182484 0.785186 0.305754
C 0.266914 0.433794 0.075495
C 0.744240 -0.901290 0.051364
C 1.178650 1.502566 -0.080390
C 2.547521 1.256939 -0.318815
C 2.111840 -1.155683 -0.169954
C 3.022307 -0.084936 -0.403434
C 4.611861 2.489177 0.217812
C 3.538699 -2.889580 0.795400
C 4.601785 -0.981089 -2.017079
H -3.692362 0.561491 1.144228
H -3.860820 -1.953432 1.159620
H -4.049128 -1.961504 -0.618225
H -6.294251 -2.189447 0.425207
H -6.029217 -0.715557 1.405904
H -3.709417 1.835152 -0.939843
H -3.939251 0.331325 -1.909766
H -6.231937 -0.870217 -1.669495
H -7.424535 -0.126672 -0.548718
H -6.069127 1.696864 -1.274966
H -1.797526 -1.052968 -0.467548
H 0.097294 -1.761786 0.250732
H 0.816359 2.532696 -0.022741
H 5.269964 1.621735 0.045883
H 4.373205 2.582086 1.294729
H 5.085563 3.415766 -0.140142
H 3.107360 -2.784389 1.808862
H 4.448874 -2.270434 0.706900
H 3.768242 -3.946833 0.593413
H 5.689836 -1.127733 -2.094415
H 4.248800 -0.317570 -2.827427
H 4.074911 -1.950959 -2.059166


