%chk=000082717.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082717

0 1
 O   -1.316100       2.627600       1.062300    
 O    1.322200      -2.652100       1.014900    
 O   -3.361600      0.1881000      -1.754900    
 O    2.821100       1.955400      0.3152000    
 O   -2.711000      -2.285700     -0.1097000    
 O    3.356000     -0.1687000      -1.772400    
 N   -1.591800      0.7223000     -0.3337000    
 N   0.5501000       1.438900      0.1701000    
 N  -0.5476000      -1.449800      0.1488000    
 N    1.592200     -0.7253000     -0.3521000    
 C  -0.6875000     -0.3231000     -0.7859000    
 C   0.6861000      0.3275000     -0.7834000    
 C  -0.8476000       1.719100      0.3876000    
 C   0.8509000      -1.733400      0.3564000    
 C   -2.931100      0.7595000     -0.7515000    
 C    1.642500       2.243200      0.5252000    
 C   -1.638600      -2.260000      0.4949000    
 C    2.929500     -0.7561000     -0.7765000    
 C   -3.851700       1.611700      8.2400002E-02
 C    1.300700       3.567600       1.158200    
 C   -1.420200      -3.185400       1.664300    
 C    3.853700      -1.621400      3.9799999E-02
 H  -0.9820000     -0.7263000      -1.761200    
 H   0.9781000      0.7481000      -1.751900    
 H   -3.667200       1.447000       1.147300    
 H   -4.889900       1.337500     -0.1272000    
 H   -3.705700       2.665800     -0.1666000    
 H   0.8273000       3.410200       2.130600    
 H   0.6536000       4.152100      0.4994000    
 H    2.220800       4.138100       1.319800    
 H  -0.8831000      -4.077900       1.333600    
 H   -2.389600      -3.486400       2.072800    
 H  -0.8635000      -2.681500       2.458900    
 H    3.706600      -2.671400     -0.2253000    
 H    3.673800      -1.473600       1.108000    
 H    4.890900      -1.343800     -0.1699000    


%chk=000082717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082717

0 1
O -1.387813 2.749601 0.856335
O 1.382202 -2.591689 1.094149
O -3.262345 0.077752 -1.916805
O 2.749890 1.881266 0.190097
O -2.771286 -1.798610 0.434113
O 3.185615 -0.215085 -1.979466
N -1.622796 0.724536 -0.402763
N 0.479562 1.479411 0.055837
N -0.505947 -1.408095 0.213490
N 1.583584 -0.705422 -0.369786
C -0.725642 -0.345880 -0.829048
C 0.674735 0.316794 -0.879897
C -0.908536 1.762470 0.257308
C 0.887109 -1.670170 0.409579
C -2.982208 0.771111 -0.913737
C 1.592882 2.229356 0.542334
C -1.606087 -2.108546 0.794798
C 2.931113 -0.802561 -0.904513
C -3.963488 1.637019 -0.166669
C 1.319986 3.393657 1.470796
C -1.309656 -3.175485 1.827135
C 3.932423 -1.585810 -0.095585
H -1.092148 -0.787114 -1.768303
H 1.016260 0.661114 -1.867769
H -4.210725 1.139280 0.789813
H -4.878037 1.732788 -0.769570
H -3.546131 2.624668 0.085496
H 0.713893 3.089206 2.340808
H 0.744801 4.184757 0.960616
H 2.292199 3.788093 1.801411
H -0.742062 -4.011782 1.384868
H -2.273273 -3.537532 2.214967
H -0.686567 -2.786400 2.650011
H 3.520981 -2.537133 0.276955
H 4.209008 -0.985566 0.791615
H 4.828804 -1.752198 -0.710320


