%chk=000115987.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115987

0 1
 O   -3.138400     -0.9311000       1.730400    
 N   -3.515200      3.5700001E-02 -0.3470000    
 N   0.8017000      0.3365000      0.4963000    
 N  -0.9352000       1.368000       1.259100    
 N   0.3794000       1.467300       1.095100    
 N    6.191100     -0.4449000     -0.7350000    
 C  -0.2419000     -0.5145000      0.2648000    
 C   -4.906500     -0.3957000     -0.3846000    
 C   -3.065500      0.8106000      -1.502400    
 C   -1.331300      0.1601000      0.7558000    
 C   -2.691500     -0.2805000      0.7656000    
 C    2.136600      0.1434000      0.1915000    
 C  -9.9900000E-02  -1.833600     -0.3770000    
 C   -5.039800      -1.764100      -1.030800    
 C   -3.305500       2.296300      -1.294000    
 C    2.668500      -1.145800      0.1758000    
 C    2.951100       1.237600     -0.1004000    
 C    4.015100      -1.341000     -0.1316000    
 C    4.297600       1.042500     -0.4081000    
 C    4.829600     -0.2469000     -0.4237000    
 H   -5.292200     -0.4479000      0.6396000    
 H   -5.508500      0.3461000     -0.9204000    
 H   -1.999600      0.6397000      -1.676800    
 H   -3.591600      0.4605000      -2.397600    
 H   0.5901000      -1.833800      -1.225400    
 H   0.1608000      -2.611500      0.3463000    
 H   -1.066900      -2.136600     -0.7987000    
 H   -4.679500      -1.751200      -2.064600    
 H   -4.459300      -2.515800     -0.4857000    
 H   -6.087300      -2.080600      -1.038400    
 H   -4.370500       2.510400      -1.157700    
 H   -2.777900       2.668300     -0.4106000    
 H   -2.954800       2.861700      -2.162900    
 H    2.128900      -2.026900      0.4941000    
 H    2.563300       2.253300     -0.1060000    
 H    4.424500      -2.348000     -0.1185000    
 H    4.921700       1.902900     -0.6361000    
 H    6.782200      0.3476000     -0.9475000    
 H    6.576700      -1.379800     -0.7472000    


%chk=000115987-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115987

0 1
O -2.736133 -1.810400 0.363521
N -3.707233 0.096382 -0.539128
N 0.978515 0.125741 -0.238094
N -0.895737 1.282935 -0.471700
N 0.434316 1.432854 -0.466891
N 6.631863 -0.353289 -0.131606
C -0.032465 -0.810590 -0.103848
C -5.036050 -0.529604 -0.318944
C -3.708859 1.413150 -1.224158
C -1.226865 -0.062052 -0.252646
C -2.599006 -0.630616 -0.130707
C 2.403670 -0.025069 -0.205863
C 0.183248 -2.281260 0.082842
C -5.467882 -1.427502 -1.498520
C -3.921743 2.597075 -0.257951
C 3.035038 -0.886898 0.723049
C 3.195161 0.744337 -1.093885
C 4.436112 -1.002192 0.745507
C 4.594726 0.638924 -1.067491
C 5.243346 -0.242229 -0.151238
H -4.977909 -1.135518 0.600676
H -5.767391 0.284622 -0.160359
H -2.754849 1.551055 -1.754206
H -4.519548 1.384009 -1.978674
H 1.097992 -2.622197 -0.433151
H 0.269415 -2.544035 1.153704
H -0.699589 -2.820183 -0.291041
H -5.497815 -0.861305 -2.447862
H -4.761064 -2.266823 -1.609385
H -6.476180 -1.842975 -1.315746
H -4.840686 2.472087 0.344213
H -3.056007 2.685806 0.418533
H -4.011082 3.540011 -0.828806
H 2.437697 -1.452526 1.444259
H 2.701050 1.426614 -1.791205
H 4.911586 -1.672724 1.470978
H 5.195779 1.239408 -1.760478
H 7.207515 0.199678 -0.759730
H 7.097162 -0.976400 0.521730


