%chk=000029134.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029134

0 1
 O  -0.6856000     -0.2390000      0.9731000    
 N   -3.381200      0.2952000      0.2333000    
 N   -4.025800      -1.198500      -1.478100    
 N   -3.063700      -2.078400      0.4302000    
 C   0.7163000     -3.6100000E-02  0.8585000    
 C    1.041600       1.181500      1.5200000E-02
 C    1.385000      -1.298000      0.3539000    
 C    1.661300       2.277600      0.5879000    
 C   -1.344600      0.9287000       1.445200    
 C   -2.834700      0.6426000       1.543700    
 C   0.7020000       1.158000      -1.326100    
 C    2.686300      -1.570700      0.7364000    
 C   0.6790000      -2.149300     -0.4774000    
 C    1.951200       3.386900     -0.2065000    
 C    2.028300       2.306700       2.035300    
 C   0.9920000       2.267300      -2.120500    
 C    1.616500       3.381700      -1.560700    
 C    3.302200      -2.732900      0.2720000    
 C    1.294900      -3.311600     -0.9418000    
 C   -3.859000       1.415700     -0.5747000    
 C    2.606600      -3.603200     -0.5669000    
 C   -3.468200      -1.024300     -0.2319000    
 H    1.065200      7.6899998E-02   1.890400    
 H  -0.9678000       1.190600       2.439900    
 H   -1.212200       1.780900      0.7720000    
 H   -3.005600     -0.1850000       2.242600    
 H   -3.356800       1.510600       1.963500    
 H   0.1983000      0.3119000      -1.781500    
 H    3.237500     -0.8996000       1.388300    
 H  -0.3388000      -1.941500     -0.7918000    
 H    2.436800       4.263900      0.2132000    
 H    2.513600       3.252300       2.303600    
 H    1.143100       2.220300       2.671800    
 H    2.742600       1.512400       2.274200    
 H   0.7272000       2.265300      -3.173800    
 H    1.840800       4.246000      -2.179000    
 H    4.323600      -2.959800      0.5633000    
 H   0.7542000      -3.988400      -1.596900    
 H   -3.686900       2.378000     -7.9599999E-02
 H   -4.935900       1.330200     -0.7535000    
 H   -3.329800       1.453700      -1.532800    
 H    3.086300      -4.507800     -0.9291000    
 H   -4.369700     -0.4331000      -2.045100    
 H   -4.119600      -2.126100      -1.878200    
 H   -3.244100      -2.913300     -0.1377000    


%chk=000029134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029134

0 1
O -0.728515 -0.316037 0.797397
N -3.547837 0.210016 0.035362
N -4.294660 -0.953128 -1.881378
N -4.425690 -1.959717 0.331369
C 0.714492 -0.012179 0.880671
C 1.062329 1.251371 0.084731
C 1.464828 -1.261995 0.402641
C 1.833553 2.314309 0.638906
C -1.563213 0.655095 1.513263
C -3.026557 0.204621 1.407642
C 0.589124 1.346362 -1.248441
C 2.825968 -1.173668 0.016152
C 0.827109 -2.527105 0.399297
C 2.105706 3.447267 -0.173285
C 2.373886 2.269578 2.061860
C 0.866362 2.477645 -2.042407
C 1.630796 3.536689 -1.499716
C 3.542778 -2.332257 -0.356541
C 1.543359 -3.684367 0.017643
C -3.543577 1.479530 -0.697147
C 2.904019 -3.593956 -0.356067
C -4.101187 -0.968167 -0.482252
H 0.966949 0.150769 1.952479
H -1.276145 0.685001 2.589260
H -1.413110 1.672122 1.091219
H -3.146742 -0.824554 1.784298
H -3.635583 0.874805 2.054443
H -0.000789 0.513215 -1.647664
H 3.322468 -0.196469 -0.010462
H -0.227348 -2.584716 0.683186
H 2.699680 4.269365 0.244488
H 2.975545 3.169210 2.276286
H 1.561150 2.228356 2.812207
H 3.019518 1.388423 2.235627
H 0.498728 2.533318 -3.073267
H 1.857387 4.422460 -2.104003
H 4.594651 -2.249258 -0.653334
H 1.038218 -4.657187 0.014322
H -3.734217 2.312159 0.007373
H -4.350383 1.488283 -1.449399
H -2.576893 1.687996 -1.204060
H 3.458394 -4.493202 -0.648130
H -3.683192 -0.413746 -2.491641
H -4.814692 -1.720344 -2.298679
H -4.684267 -2.827613 -0.170350


