%chk=000112201.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112201

0 1
 O   -1.754500     -0.1206000      0.4061000    
 O   -1.407500      -1.499600      -1.406900    
 N   0.4317000      -2.963500     -4.8000000E-02
 N    4.873400       2.069300     -0.1579000    
 N   -4.343100       2.445600     -0.1558000    
 C   0.9779000     -0.8225000       1.073900    
 C    1.817700     -0.2657000     -8.4899999E-02
 C  -0.1243000      -1.803600      0.6473000    
 C    2.928000      0.6553000      0.4340000    
 C    3.838600       1.182800     -0.6761000    
 C   -1.151900      -1.150600     -0.2615000    
 C   -2.761900      0.5848000     -0.3261000    
 C   -3.324100       1.688400      0.5557000    
 H    1.643600      -1.330100       1.784700    
 H   0.5302000      1.6700000E-02   1.621200    
 H    2.273400      -1.086900     -0.6498000    
 H    1.179000      0.2925000     -0.7793000    
 H  -0.6544000      -2.165000       1.536800    
 H    2.471500       1.500400      0.9654000    
 H    3.535900      0.1106000       1.167900    
 H    4.317700      0.3431000      -1.191000    
 H    3.241600       1.725000      -1.418100    
 H    1.116300      -3.424600      0.5502000    
 H  -0.3050000      -3.647600     -0.2166000    
 H   -2.313100       1.011200      -1.231500    
 H   -3.555300     -0.1163000     -0.6128000    
 H    4.440700       2.869700      0.3012000    
 H    5.417700       2.444000     -0.9336000    
 H   -3.749400       1.260300       1.470300    
 H   -2.520200       2.359600      0.8781000    
 H   -5.087300       1.818400     -0.4593000    
 H   -3.945400       2.839800      -1.007700    


%chk=000112201-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112201

0 1
O -1.707610 -0.151154 0.415034
O -1.445927 -1.706785 -1.294469
N 0.515386 -3.052730 0.076294
N 4.843643 2.115199 -0.232075
N -4.320957 2.500550 -0.241657
C 1.002880 -0.843452 1.186591
C 1.779826 -0.239822 0.000296
C -0.069706 -1.897252 0.759568
C 2.958986 0.647153 0.456143
C 3.723378 1.284086 -0.722294
C -1.122715 -1.272660 -0.162594
C -2.760758 0.535156 -0.395209
C -3.271916 1.727650 0.438246
H 1.711048 -1.360377 1.864630
H 0.504311 -0.046551 1.771625
H 2.150230 -1.071466 -0.630004
H 1.089332 0.360048 -0.629752
H -0.620632 -2.183972 1.686705
H 2.581963 1.452463 1.123673
H 3.677174 0.052606 1.053474
H 4.145778 0.477208 -1.351900
H 2.992804 1.840366 -1.362389
H 0.814982 -3.824299 0.670045
H 0.052664 -3.317890 -0.796191
H -2.315690 0.862288 -1.353798
H -3.568176 -0.188215 -0.616696
H 4.546105 2.880517 0.382523
H 5.481299 2.443013 -0.964315
H -3.663216 1.357340 1.402886
H -2.425262 2.396883 0.675353
H -5.217174 2.024271 -0.363665
H -4.024551 3.020728 -1.070177


