%chk=000052251.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052251

0 1
 O   -1.579300      -1.533000      9.8600000E-02
 O    1.195500      -1.599100     -0.2553000    
 O    3.022800      -2.697000      0.6137000    
 N   -4.824900      0.2137000      0.1172000    
 N    5.111000       3.332100     -0.2319000    
 C   -3.482300     -0.1597000      0.5609000    
 C   -5.575900      0.8209000       1.215500    
 C   -4.751000       1.130600      -1.019700    
 C   -2.886800      -1.213600     -0.3589000    
 C   -4.916100       2.105400       1.687600    
 C   -6.137100       1.481500      -1.533100    
 C  -0.9655000      -2.517100     -0.7225000    
 C   0.4304000      -2.797000     -0.2000000    
 C    3.167700     -0.3786000      7.5800002E-02
 C    2.480800      -1.690500      0.1837000    
 C    4.498100     -0.2527000      0.4761000    
 C    2.482800      0.7279000     -0.4263000    
 C    4.458200       2.086200     -0.1277000    
 C    5.143400      0.9796000      0.3743000    
 C    3.128100       1.960300     -0.5280000    
 H   -3.509200     -0.5945000       1.569600    
 H   -2.796900      0.6959000      0.6215000    
 H   -6.623200      0.9990000      0.9498000    
 H   -5.626100      0.1142000       2.054400    
 H   -4.170500       2.039600     -0.8255000    
 H   -4.244700      0.6329000      -1.854400    
 H   -2.810800     -0.8534000      -1.389600    
 H   -3.507600      -2.118000     -0.3494000    
 H   -5.468800       2.479100       2.558400    
 H   -4.950300       2.909100      0.9470000    
 H   -3.884000       1.972000       2.023100    
 H   -6.757400      0.5887000      -1.668300    
 H   -6.663500       2.182400     -0.8784000    
 H   -6.053000       1.969000      -2.511000    
 H   -1.560300      -3.436900     -0.7096000    
 H  -0.9046000      -2.137900      -1.749300    
 H   0.3748000      -3.131800      0.8424000    
 H   0.9085000      -3.570900     -0.8105000    
 H    5.049200      -1.102600      0.8698000    
 H    1.446900      0.6751000     -0.7493000    
 H    6.180300       1.065100      0.6892000    
 H    2.584000       2.815400     -0.9210000    
 H    4.614200       4.135200     -0.5939000    
 H    6.074800       3.424600      6.0100000E-02


%chk=000052251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052251

0 1
O -1.678735 -1.504216 0.310327
O 1.264928 -1.484487 -0.128448
O 3.072770 -2.608263 0.829237
N -4.920840 0.345369 0.051066
N 5.622115 3.192778 -0.689180
C -3.650682 -0.147716 0.640059
C -6.011367 0.538989 1.039789
C -4.713390 1.473903 -0.891937
C -2.978826 -1.172944 -0.286695
C -5.813343 1.687942 2.067540
C -5.929382 1.746044 -1.797050
C -0.923455 -2.465313 -0.492589
C 0.433196 -2.679586 0.154591
C 3.352540 -0.322969 0.020532
C 2.604373 -1.569047 0.291371
C 4.735728 -0.275059 0.345780
C 2.741665 0.829716 -0.545028
C 4.878656 2.040544 -0.456456
C 5.491339 0.882276 0.113239
C 3.488222 1.993577 -0.781138
H -3.862093 -0.639282 1.607034
H -2.920760 0.668389 0.849343
H -6.955479 0.701916 0.487545
H -6.134263 -0.417017 1.583826
H -4.425543 2.416987 -0.361228
H -3.851226 1.209342 -1.532913
H -2.833817 -0.750649 -1.305915
H -3.614963 -2.079846 -0.377746
H -6.663744 1.717684 2.774126
H -5.753603 2.673827 1.571367
H -4.888408 1.544085 2.655657
H -6.232167 0.820088 -2.317420
H -6.798251 2.120949 -1.226673
H -5.676130 2.510217 -2.554915
H -1.463676 -3.439037 -0.532227
H -0.796314 -2.095045 -1.533482
H 0.333498 -2.802500 1.247755
H 0.936747 -3.573887 -0.256440
H 5.197462 -1.166038 0.784647
H 1.675873 0.797122 -0.788432
H 6.557613 0.903679 0.369209
H 3.004658 2.877015 -1.215762
H 5.190623 4.019838 -1.091789
H 6.610150 3.231826 -0.455480


