%chk=000037475.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037475

0 1
 O    4.974700      -1.640200      0.1163000    
 N   -3.128800      0.8921000      0.1011000    
 N   -2.183900      -1.308300     -8.4299996E-02
 C   -4.500900      0.4044000      0.2123000    
 C   -4.604500     -0.9575000     -0.4540000    
 C   -3.524300      -1.872400      9.8999999E-02
 C   -2.069400     -8.8000000E-03 -5.8100000E-02
 C   -2.943800       2.329200      0.2550000    
 C  -0.6673000      0.4690000     -0.2265000    
 C   0.3008000     -0.3292000      0.2041000    
 C    1.689800      5.9000002E-03  8.6300001E-02
 C    2.678200     -0.9907000      0.1572000    
 C    2.092900       1.339200     -0.1002000    
 C    4.029500     -0.6637000      4.4500001E-02
 C    3.444300       1.666100     -0.2125000    
 C    4.412600      0.6647000     -0.1402000    
 H   -5.200800       1.096200     -0.2704000    
 H   -4.774000      0.3338000       1.271500    
 H   -4.475800     -0.8501000      -1.538500    
 H   -5.596000      -1.389500     -0.2819000    
 H   -3.688900      -2.073700       1.163800    
 H   -3.569200      -2.834800     -0.4220000    
 H   -2.200200       2.542100       1.030000    
 H   -3.872800       2.829000      0.5504000    
 H   -2.611700       2.771300     -0.6896000    
 H  -0.5275000       1.428900     -0.7047000    
 H   9.3999997E-02  -1.285300      0.6775000    
 H    2.395900      -2.032200      0.3004000    
 H    1.384900       2.162500     -0.1379000    
 H    3.743600       2.701100     -0.3503000    
 H    5.462100      0.9330000     -0.2277000    
 H    5.853900      -1.235700      1.9300001E-02


%chk=000037475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037475

0 1
O 5.065706 -1.617247 0.392057
N -3.158960 0.844419 0.214712
N -2.295611 -1.412177 0.002008
C -4.574811 0.442108 0.043400
C -4.686629 -0.957806 -0.588247
C -3.686245 -1.907795 0.111295
C -2.120932 -0.098280 0.070283
C -2.935129 2.261068 0.533486
C -0.738465 0.437891 -0.034996
C 0.363756 -0.356644 0.109229
C 1.772295 0.053100 -0.015997
C 2.776763 -0.921240 0.229483
C 2.179343 1.375215 -0.372276
C 4.143791 -0.587126 0.128622
C 3.545132 1.697230 -0.470595
C 4.543097 0.724553 -0.221551
H -5.082704 1.191367 -0.598603
H -5.087934 0.459415 1.029610
H -4.432653 -0.904787 -1.663578
H -5.726941 -1.321668 -0.501519
H -3.968498 -2.012596 1.183247
H -3.727259 -2.918816 -0.331794
H -2.053617 2.389306 1.183150
H -3.810441 2.645526 1.089644
H -2.806563 2.894446 -0.370371
H -0.627366 1.504073 -0.264611
H 0.167215 -1.414309 0.332602
H 2.503498 -1.946103 0.501682
H 1.429198 2.145441 -0.578180
H 3.847287 2.713736 -0.746402
H 5.606490 0.984938 -0.301563
H 5.994588 -1.290838 0.295674