%chk=000087515.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087515

0 1
 O   -3.416100       3.275800      0.1760000    
 O   -3.420600      -3.272800     -0.1887000    
 O    4.464600       1.011800     -0.4295000    
 O    4.467400      -1.011700      0.4216000    
 N   -1.761900     -3.9999999E-04  7.3000002E-03
 N    3.858000     -9.9999997E-05 -2.4999999E-03
 C   -2.496800       1.153400     -0.4720000    
 C   -2.495300      -1.158900      0.4778000    
 C  -0.3517000     -1.2000001E-03  3.1999999E-03
 C   -2.726000       2.133100      0.6663000    
 C   -2.732100      -2.125400     -0.6701000    
 C   0.3450000       1.113100     -0.4641000    
 C   0.3464000      -1.115200      0.4695000    
 C    1.740000       1.113400     -0.4650000    
 C    1.741200      -1.114700      0.4687000    
 C    2.438000     -5.0000002E-04  1.4000000E-03
 H   -3.481400      0.8311000     -0.8396000    
 H   -2.058100       1.631300      -1.355100    
 H   -3.478300     -0.8409000      0.8534000    
 H   -2.053500      -1.647100       1.353600    
 H   -1.783000       2.476600       1.102100    
 H   -3.320000       1.686500       1.470700    
 H   -1.790000      -2.457700      -1.117600    
 H   -3.338500      -1.662000      -1.455700    
 H  -0.1357000       2.015800     -0.8234000    
 H  -0.1329000      -2.018200      0.8298000    
 H    2.250200       2.000000     -0.8331000    
 H    2.252800      -2.001100      0.8354000    
 H   -4.267700       2.972500     -0.1821000    
 H   -3.556500      -3.863700     -0.9489000    


%chk=000087515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087515

0 1
O -3.430987 3.405242 0.126377
O -3.555064 -3.292374 -0.090639
O 4.545252 1.097291 -0.354409
O 4.548548 -1.065133 0.388377
N -1.773071 -0.014340 -0.031668
N 3.932304 0.014146 0.013596
C -2.548665 1.158653 -0.480313
C -2.543787 -1.189728 0.416798
C -0.376713 -0.004733 -0.017268
C -2.751527 2.211319 0.640838
C -2.723549 -2.243376 -0.693914
C 0.365153 1.161262 -0.409327
C 0.370250 -1.162371 0.389756
C 1.764676 1.165813 -0.402149
C 1.769552 -1.154101 0.403986
C 2.470206 0.008672 0.004762
H -3.536087 0.805769 -0.834405
H -2.063845 1.646053 -1.344829
H -3.546442 -0.859451 0.740278
H -2.072342 -1.661948 1.296155
H -1.778176 2.575983 1.005515
H -3.297435 1.761403 1.496609
H -1.738514 -2.638808 -1.015983
H -3.223748 -1.784221 -1.573232
H -0.152925 2.073012 -0.716442
H -0.145243 -2.076120 0.695299
H 2.328357 2.053706 -0.701076
H 2.337504 -2.035326 0.714395
H -4.384444 3.201190 -0.045633
H -3.681740 -4.034686 -0.732053


