%chk=000087592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087592

1 1
 O    3.641700      -2.084900      0.2020000    
 O   -1.003600      -1.996300      0.1071000    
 N  -0.5093000      0.2970000      6.3000001E-02
 N   0.9164000       2.728700      3.3599999E-02
 N   0.3876000       3.681400      3.0000001E-04
 C   0.9068000      0.3141000      9.1399997E-02
 C    3.676700      0.3111000      0.1462000    
 C    2.977700     -0.8959000      0.1614000    
 C    1.583100     -0.8946000      0.1338000    
 C    1.586600       1.520800      7.5999998E-02
 C    2.981100       1.519500      0.1036000    
 C    5.169400      0.3284000      0.1746000    
 C   -1.369300     -0.8102000      7.1699999E-02
 C   -2.790800     -0.5106000      8.0000004E-03
 C   -3.716000      -1.399100      0.5558000    
 C   -3.229200      0.6656000     -0.6006000    
 C   -5.079700      -1.111700      0.4950000    
 C   -4.592800      0.9530000     -0.6613000    
 C   -5.518000      6.4300001E-02 -0.1134000    
 C    3.981600      -2.680400      -1.048400    
 H    1.114300      -1.866700      0.1492000    
 H    3.520300       2.463800      8.9500003E-02
 H  -0.9197000       1.226900      7.4000001E-02
 H    5.560000     -0.4146000      0.8778000    
 H    5.570100      0.1242000     -0.8230000    
 H    5.551800       1.301600      0.5015000    
 H   -3.395500      -2.318500       1.039000    
 H   -2.550900       1.368900      -1.074400    
 H   -5.800200      -1.803100      0.9222000    
 H   -4.935500       1.864300      -1.142700    
 H   -6.579700      0.2873000     -0.1623000    
 H    4.601000      -2.007400      -1.649000    
 H    3.075400      -2.947300      -1.601200    
 H    4.550100      -3.593000     -0.8494000    


%chk=000087592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087592

1 1
O 3.983621 -1.767977 -0.345649
O -0.798812 -1.941711 -0.204893
N -0.422162 0.368713 0.020187
N 0.991041 2.787801 0.361820
N 0.406327 3.791920 0.516568
C 0.969384 0.382375 0.008676
C 3.891247 0.568887 -0.002296
C 3.173874 -0.684310 -0.176453
C 1.760777 -0.770916 -0.167574
C 1.685024 1.641661 0.185467
C 3.127623 1.711101 0.177156
C 5.399539 0.589388 -0.018748
C -1.279454 -0.778247 -0.124150
C -2.737809 -0.478667 -0.140432
C -3.617167 -1.561139 0.136368
C -3.279606 0.804001 -0.440987
C -5.010436 -1.359765 0.139404
C -4.675384 0.999284 -0.442093
C -5.542546 -0.079116 -0.144555
C 3.397347 -3.121584 -0.532796
H 1.239226 -1.722029 -0.284816
H 3.609251 2.683485 0.315215
H -0.919262 1.248198 0.184821
H 5.809985 -0.062323 0.773119
H 5.787543 0.195877 -0.975207
H 5.790425 1.608749 0.126861
H -3.188315 -2.545910 0.346695
H -2.641384 1.647989 -0.735951
H -5.681441 -2.195374 0.360476
H -5.088952 1.982377 -0.687392
H -6.626148 0.076780 -0.144651
H 2.775842 -3.144918 -1.444357
H 2.805655 -3.405925 0.354233
H 4.266647 -3.782076 -0.643068


