%chk=000029243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029243

0 1
 O   -1.227200     -0.3096000       1.298000    
 O  -0.9832000       2.101400      -1.345300    
 O   -3.173900       1.705300      0.2302000    
 O   -3.651500      -2.161800     -0.6884000    
 O    3.446200      -1.082900      -1.517100    
 O    1.820800       2.300400      0.4978000    
 N   0.8783000      0.1760000      0.4059000    
 N    3.204000      0.5260000      0.1538000    
 C  -0.4673000      0.6539000      0.5504000    
 C   -1.171400      0.8180000     -0.7854000    
 C   -2.616100      0.5596000     -0.4129000    
 C   -2.484700     -0.5447000      0.6272000    
 C    1.038000      -1.257900      0.1630000    
 C    2.421800      -1.749100      0.5572000    
 C   -2.445000      -1.941000      2.0800000E-02
 C    1.948000       1.080600      0.3566000    
 C    3.463100     -0.8740000     -0.1118000    
 H  -0.4585000       1.595000       1.112700    
 H  -0.8432000      7.2400004E-02  -1.518500    
 H   -3.252300      0.3239000      -1.269300    
 H   -3.286700     -0.4861000       1.372000    
 H   0.8508000      -1.440700     -0.9008000    
 H   0.3210000      -1.842300      0.7439000    
 H    2.533300      -1.688700       1.646900    
 H    2.539900      -2.796600      0.2589000    
 H   -2.341800      -2.696600      0.8070000    
 H   -1.607100      -2.067500     -0.6705000    
 H    4.465500      -1.110300      0.2587000    
 H    3.992500       1.164000      0.1086000    
 H  -2.8100001E-02   2.223800      -1.479900    
 H   -2.684900       1.877300       1.052000    
 H   -3.606700      -3.060500      -1.056900    
 H    4.006100     -0.3913000      -1.908900    


%chk=000029243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029243

0 1
O -1.216422 -0.706125 1.144330
O -1.133943 2.412094 -0.741488
O -3.227915 1.640018 0.670385
O -4.057594 -1.994134 -0.876334
O 3.695005 -1.584762 -1.317064
O 1.476549 2.158690 -0.270428
N 0.930935 -0.043150 0.306407
N 3.158058 0.560117 -0.253948
C -0.451986 0.424099 0.625231
C -1.245643 0.972654 -0.602053
C -2.711350 0.620568 -0.238463
C -2.583026 -0.708316 0.520524
C 1.328779 -1.469802 0.432787
C 2.791719 -1.564454 0.899065
C -2.679709 -1.956794 -0.368825
C 1.821772 0.932064 -0.082832
C 3.689502 -0.785092 -0.071149
H -0.385304 1.217902 1.396495
H -0.920529 0.442251 -1.520808
H -3.362183 0.518127 -1.126603
H -3.323579 -0.756491 1.334857
H 1.224614 -1.982496 -0.542876
H 0.643119 -1.944695 1.149092
H 2.905299 -1.153597 1.917892
H 3.112084 -2.618975 0.902446
H -2.443929 -2.847923 0.247963
H -1.945461 -1.896051 -1.201403
H 4.726270 -0.697269 0.310409
H 3.767279 1.330057 -0.534531
H -0.149818 2.620531 -0.613051
H -2.772198 2.487801 0.397934
H -4.232056 -2.865811 -1.309673
H 4.171361 -1.085037 -2.028389


