%chk=000037566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037566

0 1
 O   -1.289600     -0.4629000      0.4507000    
 O   0.1381000      0.5619000      -1.043400    
 N   -4.862800     -2.0700000E-02 -0.3382000    
 C   -3.680500     -0.4865000      0.3858000    
 C   -2.409500     -2.7999999E-03 -0.2941000    
 C    1.013800     -0.6722000      0.8622000    
 C    2.406300     -0.2994000      0.4232000    
 C   -4.870100       1.439500     -0.4192000    
 C   -6.081900     -0.5027000      0.3099000    
 C  -5.9099998E-02 -0.1067000     -3.7799999E-02
 C    3.087100      -1.125000     -0.4598000    
 C    2.986300      0.8633000      0.9088000    
 C    4.376200     -0.7802000     -0.8660000    
 C    4.275500       1.208200      0.5026000    
 C    4.970400      0.3863000     -0.3848000    
 H   -3.662800      -1.583700      0.4156000    
 H   -3.687600     -0.1549000       1.433100    
 H   -2.347000       1.089300     -0.3170000    
 H   -2.352000     -0.3912000      -1.318300    
 H   0.9127000      -1.764000      0.8810000    
 H   0.8411000     -0.3085000       1.882400    
 H   -4.127100       1.813300      -1.130300    
 H   -4.714800       1.916200      0.5557000    
 H   -5.831900       1.794300     -0.8099000    
 H   -6.967200     -0.2051000     -0.2632000    
 H   -6.187000     -0.1197000       1.331600    
 H   -6.090000      -1.597700      0.3493000    
 H    2.632400      -2.034700     -0.8419000    
 H    2.452900       1.511100       1.598600    
 H    4.917100      -1.419800      -1.557400    
 H    4.738000       2.116800      0.8767000    
 H    5.974000      0.6550000     -0.7013000    


%chk=000037566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037566

0 1
O -1.062383 -1.069493 0.488050
O -0.067568 -2.064385 -1.371281
N -4.533830 0.228107 -0.077431
C -3.218227 0.015198 0.568161
C -2.312621 -0.862892 -0.303535
C 1.229744 -1.765340 0.715514
C 2.208392 -0.625320 0.423946
C -4.483068 1.172522 -1.213542
C -5.585071 0.594783 0.893793
C -0.000490 -1.677318 -0.182317
C 2.897308 -0.570527 -0.815120
C 2.432578 0.393622 1.381964
C 3.799456 0.481890 -1.085678
C 3.336681 1.447066 1.112288
C 4.023681 1.493542 -0.122182
H -3.381690 -0.507017 1.528285
H -2.690537 0.974199 0.800285
H -2.042556 -0.396660 -1.266988
H -2.781516 -1.841695 -0.503713
H 1.710509 -2.738730 0.511935
H 0.911009 -1.738384 1.769528
H -3.775403 0.818540 -1.982486
H -4.177194 2.206199 -0.909719
H -5.480653 1.234558 -1.683079
H -6.560323 0.650664 0.377637
H -5.406429 1.579713 1.395922
H -5.658696 -0.180877 1.676442
H 2.714775 -1.347007 -1.567210
H 1.898661 0.363039 2.339285
H 4.326858 0.512922 -2.045790
H 3.504051 2.227340 1.863438
H 4.725552 2.308541 -0.331802


