%chk=000127969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127969

0 1
 O   0.6399000       1.833500      -1.027500    
 O    1.028400      -2.821500     -0.5848000    
 O   -1.344200      -1.161800      0.7828000    
 O   -5.119000      0.4340000     -0.1857000    
 O   -3.840400     -0.4961000       1.491700    
 N   0.8114000     -0.5005000     -0.8163000    
 N    2.791000      -1.497700      0.1599000    
 N    3.352800       1.959100      0.2265000    
 N    4.486200      0.1453000      0.8554000    
 C    2.562500      0.8890000     -8.1299998E-02
 C    3.279300     -0.2074000      0.3138000    
 C    1.268100      0.8374000     -0.6796000    
 C  -0.5055000     -0.6838000      -1.417300    
 C    1.514200      -1.696300     -0.4229000    
 C    4.499800       1.460500      0.7881000    
 C    3.592100      -2.634600      0.5964000    
 C   -1.557700     -0.6735000     -0.3262000    
 C    3.061700       3.356600      1.3400000E-02
 C   -2.909500     -0.1105000     -0.7235000    
 C   -3.977900     -0.1037000      0.3419000    
 C   -6.228500      0.5306000      0.7135000    
 C   -7.404600       1.141400     -1.8200001E-02
 H  -0.7053000      0.1286000      -2.123100    
 H  -0.5709000      -1.634800      -1.954400    
 H    5.305300       2.097700       1.127300    
 H    4.539200      -2.633600      4.8099998E-02
 H    3.078900      -3.581800      0.4120000    
 H    3.786500      -2.541700       1.669300    
 H    3.899000       3.962500      0.3691000    
 H    2.915800       3.520500      -1.057100    
 H    2.158000       3.611100      0.5725000    
 H   -2.750800      0.9257000      -1.042100    
 H   -3.277000     -0.7083000      -1.564600    
 H   -6.495100     -0.4694000       1.073200    
 H   -5.953900       1.162600       1.565500    
 H   -8.272300       1.230200      0.6413000    
 H   -7.147200       2.134900     -0.3998000    
 H   -7.679500      0.5299000     -0.8840000    


%chk=000127969-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127969

0 1
O 0.635114 1.855289 -0.987734
O 0.468150 -2.566135 0.617437
O -1.124034 0.890415 1.642674
O -5.123360 0.602192 -0.050435
O -3.656372 -0.568377 -1.431446
N 0.604958 -0.363210 -0.198086
N 2.560284 -1.507081 0.622082
N 3.717611 1.720247 -0.356260
N 4.645193 -0.174203 0.537110
C 2.681095 0.783931 -0.218721
C 3.284971 -0.360545 0.332370
C 1.276426 0.864588 -0.510737
C -0.847384 -0.359527 -0.440867
C 1.170934 -1.546558 0.370102
C 4.864696 1.097676 0.107200
C 3.230961 -2.683707 1.210928
C -1.561552 0.628013 0.498612
C 3.589698 3.089854 -0.879070
C -2.833862 1.305993 -0.035518
C -3.870407 0.342646 -0.595486
C -6.242914 -0.275309 -0.527699
C -7.499833 0.182798 0.202999
H -1.062856 -0.112204 -1.491614
H -1.220821 -1.381269 -0.245154
H 5.833512 1.591556 0.118716
H 4.040718 -3.026093 0.545650
H 2.474682 -3.472312 1.331646
H 3.665448 -2.419833 2.189492
H 4.582958 3.566457 -0.871866
H 3.195304 3.071094 -1.907542
H 2.894107 3.673541 -0.255055
H -3.274697 1.922680 0.760794
H -2.502177 1.968677 -0.860836
H -6.321533 -0.166603 -1.624479
H -5.975582 -1.323439 -0.303088
H -8.359597 -0.436800 -0.110734
H -7.379749 0.082490 1.295031
H -7.729288 1.237165 -0.027116


