%chk=000126538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126538

0 1
 O   -2.490200     -0.7836000      -1.387700    
 O    1.092600       2.663000     -0.4563000    
 O    2.031000      -2.530300      0.4285000    
 N   -4.058300      0.7374000      0.5563000    
 N   -1.109400      0.7867000     -0.2135000    
 N    4.186600     -0.9150000      0.3682000    
 C   -2.954600     -0.1578000      0.8917000    
 C   -2.889300       1.301600       1.209000    
 C   -1.901500     -0.4674000     -0.1296000    
 C   -1.790400       1.926300      0.4017000    
 C  -0.8207000      -1.496000      0.1934000    
 C   0.2389000      0.4954000     -0.1202000    
 C   0.4584000     -0.8015000      0.1035000    
 C    1.318900       1.481300     -0.2198000    
 C   -1.050600      -2.776400      0.5052000    
 C    1.819800      -1.333800      0.2562000    
 C   -1.525700     -0.7697000      -2.429700    
 C    2.712700      0.9628000     -3.0999999E-02
 C    2.954100     -0.3473000      0.1897000    
 C    3.777700       2.024200     -0.1155000    
 H   -3.121800     -0.8848000       1.670100    
 H   -2.990800       1.647700       2.225200    
 H   -4.814600      0.6234000       1.230100    
 H   -2.188000       2.594400     -0.3690000    
 H   -1.121900       2.494600       1.056700    
 H   -2.064900      -3.161500      0.5368000    
 H  -0.2553000      -3.474000      0.7369000    
 H   -2.062900      -1.017600      -3.352000    
 H  -0.7543000      -1.536900      -2.322100    
 H   -1.094100      0.2216000      -2.596200    
 H    3.757500       2.502100      -1.101000    
 H    4.789800       1.642400      3.7099998E-02
 H    3.605900       2.793100      0.6456000    
 H    4.259000      -1.912600      0.5267000    
 H    5.027700     -0.3554000      0.3424000    


%chk=000126538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126538

0 1
O -2.640667 -0.733450 -1.330749
O 1.082975 2.825163 -0.190275
O 2.172893 -2.570031 0.429311
N -3.994962 0.757029 0.630885
N -1.046836 0.821373 -0.243925
N 4.203196 -0.857248 0.327283
C -2.834428 -0.149907 1.009004
C -2.764766 1.340709 1.305258
C -1.860542 -0.470769 -0.137948
C -1.799941 1.992298 0.297471
C -0.774037 -1.534692 0.140284
C 0.285716 0.542021 -0.078296
C 0.513347 -0.836757 0.096400
C 1.377841 1.578820 -0.072060
C -1.035900 -2.858398 0.322639
C 1.848848 -1.339822 0.242743
C -1.845376 -0.935455 -2.555230
C 2.739011 1.081511 0.065462
C 2.963870 -0.293413 0.199576
C 3.881406 2.074221 0.055579
H -2.951218 -0.894946 1.800567
H -2.819508 1.722155 2.329721
H -4.780454 0.631995 1.299599
H -2.364844 2.486151 -0.510040
H -1.093878 2.709315 0.740331
H -2.065034 -3.234245 0.316796
H -0.218216 -3.572184 0.457865
H -2.588908 -1.069169 -3.355294
H -1.205678 -1.835123 -2.478783
H -1.221321 -0.046863 -2.767831
H 4.581394 1.891862 -0.784603
H 4.467607 2.044375 0.996273
H 3.476570 3.092542 -0.058066
H 4.226127 -1.876969 0.439056
H 5.057011 -0.305698 0.328393


