%chk=000100917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100917

0 1
 O   -3.266200      -3.647300     -0.3669000    
 O   -1.086900       1.886800      0.5518000    
 O   -4.915900      -1.667600     -0.5689000    
 O    6.213200     -0.2395000     -0.1353000    
 O    7.792900       1.207600      -1.913000    
 N   0.7385000      3.7700001E-02  0.8013000    
 C   -1.633800     -0.3994000      0.2485000    
 C   -2.636900      -1.325800     -4.4300001E-02
 C  -0.3284000     -0.8392000      0.4983000    
 C   -3.320700       1.495300      3.1700000E-02
 C   -4.323800      0.5688000     -0.2607000    
 C   -1.939100       1.045100      0.2968000    
 C   -4.018600     -0.8756000     -0.3094000    
 C   -2.334300      -2.692100     -8.7899998E-02
 C  -3.1199999E-02  -2.201700      0.4542000    
 C   -1.032000      -3.126100      0.1616000    
 C   -3.623100       2.861600      7.4600004E-02
 C   -5.629400       1.008700     -0.5104000    
 C    2.122700     -3.2400001E-02  0.5650000    
 C   -4.925400       3.295600     -0.1749000    
 C   -5.926400       2.371200     -0.4670000    
 C    3.017000      0.5848000       1.442900    
 C    2.610200     -0.7191000     -0.5499000    
 C    4.873400     -0.1707000      9.3599997E-02
 C    4.390200      0.5159000       1.207600    
 C    3.983300     -0.7882000     -0.7852000    
 C    7.007000      0.8549000      0.3206000    
 C    8.223500      0.9908000     -0.5747000    
 H   0.9626000      -2.582700      0.6731000    
 H   0.4554000      0.8575000       1.329700    
 H  -0.7914000      -4.185800      0.1363000    
 H   -2.862500       3.604300      0.2995000    
 H   -6.428700      0.3093000     -0.7404000    
 H   -5.159300       4.355800     -0.1417000    
 H   -6.939300       2.711800     -0.6608000    
 H    2.653400       1.117300       2.318300    
 H    1.941200      -1.187600      -1.266700    
 H    5.049500      0.9866000       1.930800    
 H    4.353900      -1.319300      -1.657700    
 H   -4.133800      -3.245500     -0.5238000    
 H    6.447200       1.797300      0.2600000    
 H    7.321800      0.6732000       1.353900    
 H    8.826700      7.7600002E-02 -0.5624000    
 H    8.848000       1.833800     -0.2667000    
 H    7.230900      0.4547000      -2.164600    


%chk=000100917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100917

0 1
O -3.292742 -3.657278 -0.234213
O -1.183986 2.068909 0.362712
O -5.028783 -1.880852 -0.242143
O 6.300429 -0.074880 -0.317760
O 8.795737 0.859831 -1.405452
N 0.678917 0.288526 0.257686
C -1.685433 -0.283447 0.095881
C -2.706150 -1.292830 -0.036881
C -0.299479 -0.681736 0.137153
C -3.506722 1.479759 0.103451
C -4.510557 0.473831 -0.044116
C -2.066289 1.125291 0.191631
C -4.122828 -0.944919 -0.111668
C -2.351319 -2.676139 -0.102604
C 0.016298 -2.089674 0.110851
C -0.975863 -3.055438 -0.004005
C -3.893621 2.842456 0.172253
C -5.878802 0.842255 -0.120644
C 2.086974 0.151264 0.130637
C -5.252832 3.199802 0.092641
C -6.249074 2.197674 -0.053746
C 2.914957 0.974699 0.936119
C 2.701353 -0.707818 -0.825440
C 4.916501 0.057256 -0.120924
C 4.319130 0.937052 0.815602
C 4.099853 -0.759529 -0.942122
C 7.204910 0.772185 0.487543
C 8.612300 0.451396 -0.012256
H 1.057202 -2.402297 0.225985
H 0.260944 1.245616 0.397194
H -0.734227 -4.122172 -0.004954
H -3.107641 3.594751 0.287600
H -6.622847 0.047641 -0.231386
H -5.544240 4.254376 0.143819
H -7.305075 2.481370 -0.113921
H 2.451015 1.643038 1.669687
H 2.084568 -1.300567 -1.507617
H 4.926904 1.583240 1.454820
H 4.578142 -1.412607 -1.678327
H -4.226655 -3.159664 -0.269599
H 6.967156 1.840443 0.314208
H 7.092866 0.531192 1.564667
H 8.813819 -0.631953 0.120348
H 9.354492 1.026711 0.566235
H 8.086096 0.421636 -1.942142


