%chk=000147491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147491

0 1
 O   -2.617800       2.930000      0.5487000    
 O  -0.2076000       1.649300      0.8963000    
 O   -4.362300      -1.233200     -0.8275000    
 N    4.237600      0.5141000     -0.8891000    
 N    1.333400     -0.4955000      0.8259000    
 N   0.3032000      -2.478800      0.1166000    
 N   -2.026900      -2.535200     -0.5059000    
 C    3.669300     -0.1677000       1.424700    
 C    3.887600      0.9886000      0.4441000    
 C    2.585300      -1.160500       1.006400    
 C   0.1716000      -1.160000      0.3739000    
 C   -1.016800     -0.4730000      0.2149000    
 C   -2.090500      -1.216300     -0.2304000    
 C    5.505600     -0.2172000     -0.8597000    
 C    4.318900       1.632800      -1.830000    
 C   -1.141000      0.9628000      0.4996000    
 C   -2.474600       1.582300      0.2882000    
 C   -3.401100     -0.5855000     -0.4333000    
 C   -3.514000      0.8606000     -0.1428000    
 C  -0.8166000      -3.094200     -0.3130000    
 C   -2.343000       3.696300     -0.6077000    
 H    4.603300     -0.7058000       1.621400    
 H    3.382600      0.2718000       2.390100    
 H    4.665900       1.652300      0.8443000    
 H    2.969400       1.587300      0.3959000    
 H    2.492700      -1.924500       1.787700    
 H    2.887400      -1.673300      8.5900001E-02
 H    1.171600      0.3422000       1.375300    
 H    5.419500      -1.166300     -0.3225000    
 H    6.316300      0.3714000     -0.4149000    
 H    5.810200     -0.4897000      -1.877400    
 H    4.534100       1.270900      -2.841500    
 H    5.094300       2.354500      -1.548500    
 H    3.359700       2.159800      -1.885200    
 H   -4.487300       1.316000     -0.2948000    
 H  -0.7340000      -4.153000     -0.5258000    
 H   -3.056800       3.477300      -1.409600    
 H   -1.319000       3.534100     -0.9622000    
 H   -2.444700       4.754200     -0.3475000    


%chk=000147491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147491

0 1
O -3.083175 2.849734 -0.001586
O -0.447820 1.784977 0.655809
O -4.449750 -1.507932 -1.230996
N 4.452212 0.265788 -0.940657
N 1.200202 -0.316312 0.818228
N 0.352035 -2.405539 0.167385
N -1.950274 -2.655381 -0.625606
C 3.541863 0.231243 1.413845
C 3.894119 1.076402 0.165862
C 2.526379 -0.888700 1.125193
C 0.156330 -1.042956 0.348734
C -1.133697 -0.440232 0.041170
C -2.146789 -1.320123 -0.447021
C 5.813525 -0.238786 -0.670930
C 4.369783 0.953746 -2.245477
C -1.370465 0.992468 0.220681
C -2.735437 1.520346 -0.122906
C -3.520553 -0.760515 -0.793576
C -3.718815 0.674380 -0.596808
C -0.694848 -3.115617 -0.301739
C -2.193928 3.909059 0.531723
H 4.455985 -0.234463 1.826044
H 3.158141 0.907859 2.204508
H 4.591773 1.898386 0.474145
H 2.976979 1.568442 -0.212197
H 2.436831 -1.574128 1.989877
H 2.866721 -1.486724 0.261852
H 1.005268 0.691247 0.950491
H 5.824918 -0.858964 0.241717
H 6.566574 0.580546 -0.542067
H 6.141730 -0.876596 -1.510508
H 4.704821 0.270180 -3.046089
H 4.995831 1.880526 -2.301709
H 3.322136 1.234229 -2.454064
H -4.704752 1.079381 -0.843333
H -0.528657 -4.188727 -0.442499
H -1.299718 4.029616 -0.098914
H -1.883154 3.683280 1.563885
H -2.826827 4.808760 0.498132


