%chk=000047646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047646

0 1
 O    3.267500      -1.641400      0.1104000    
 O    3.769100       1.047200     -0.3701000    
 N   -2.565900      0.1468000     -0.2108000    
 C   -1.569600     -0.7881000      0.3583000    
 C   -2.361200       1.519600      0.2580000    
 C  -0.1448000     -0.2933000      0.1426000    
 C   -3.947100     -0.2813000     -1.4900000E-02
 C   -1.017200       2.052100     -0.2436000    
 C   0.1136000       1.068400     -9.5399998E-02
 C   -1.774800      -1.130100       1.845900    
 C   0.9309000      -1.193500      0.2079000    
 C   -4.127800      -1.720000     -0.4911000    
 C   -4.882500      0.6645000     -0.7616000    
 C    1.434900       1.504300     -0.2697000    
 C    2.241900     -0.7479000      4.0700000E-02
 C    2.493800      0.6004000     -0.1965000    
 C    3.663300      -2.269000      -1.107800    
 C    4.475900       1.461200      0.7977000    
 H   -1.621600      -1.720400     -0.2180000    
 H   -2.407400       1.575200       1.352700    
 H   -3.102700       2.228800     -0.1188000    
 H   -4.230500     -0.2387000       1.044600    
 H  -0.7780000       2.975000      0.2984000    
 H   -1.103800       2.303900      -1.308700    
 H   -2.756300      -1.564200       2.052900    
 H   -1.036300      -1.868100       2.181100    
 H   -1.653100     -0.2499000       2.486600    
 H   0.7444000      -2.249000      0.3937000    
 H   -5.191000      -1.988800     -0.4870000    
 H   -3.769300      -1.852100      -1.518700    
 H   -3.632500      -2.457200      0.1469000    
 H   -5.030500       1.614400     -0.2387000    
 H   -5.881500      0.2210000     -0.8508000    
 H   -4.533200      0.8691000      -1.780300    
 H    1.636600       2.554100     -0.4712000    
 H    4.493500      -2.946400     -0.8900000    
 H    4.001600      -1.523000      -1.833800    
 H    2.836000      -2.851800      -1.525100    
 H    4.574800      0.6302000       1.503200    
 H    3.965000       2.302500       1.276700    
 H    5.475900       1.784800      0.4961000    


%chk=000047646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047646

0 1
O 3.236206 -1.694697 0.164785
O 3.777023 1.127306 -0.431409
N -2.654334 0.174459 -0.126383
C -1.632790 -0.760511 0.436091
C -2.399527 1.569734 0.314360
C -0.214728 -0.247396 0.162464
C -4.077407 -0.279396 -0.001037
C -1.105481 2.087759 -0.339523
C 0.044332 1.109632 -0.165073
C -1.805252 -1.064368 1.962825
C 0.870292 -1.153149 0.254341
C -4.237064 -1.750737 -0.451572
C -5.012191 0.600831 -0.866766
C 1.383908 1.534570 -0.343650
C 2.198248 -0.735119 0.048532
C 2.462465 0.638525 -0.223360
C 3.997453 -1.921088 -1.085492
C 4.663213 1.016484 0.749946
H -1.738171 -1.718499 -0.105462
H -2.323662 1.657972 1.426427
H -3.239102 2.208453 -0.000152
H -4.427465 -0.205225 1.061718
H -0.837430 3.077919 0.078895
H -1.296195 2.232299 -1.421358
H -2.796711 -1.505321 2.172997
H -1.034917 -1.780159 2.299936
H -1.695549 -0.147909 2.569309
H 0.700495 -2.214162 0.472088
H -5.308398 -2.020104 -0.454875
H -3.843275 -1.879524 -1.476767
H -3.721750 -2.464418 0.214355
H -5.071336 1.646040 -0.517546
H -6.038570 0.191703 -0.840179
H -4.659702 0.602832 -1.914227
H 1.610712 2.581987 -0.573921
H 4.783990 -2.645791 -0.824249
H 4.443678 -0.979199 -1.452914
H 3.334601 -2.348517 -1.862109
H 4.740250 -0.032176 1.089937
H 4.279707 1.649393 1.573118
H 5.644534 1.388868 0.417699


