%chk=000045470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045470

0 1
 O   -2.863000       1.653200     -0.4427000    
 O    3.244400       1.898900     -0.4161000    
 O    1.368300      -2.616100      0.3936000    
 N   0.6285000     -0.7397000     -0.2365000    
 N   0.7034000      -2.035300     -0.4726000    
 C   -1.737300     -0.3509000      0.2835000    
 C  -0.6119000     -0.1571000     -0.7360000    
 C    1.777800      2.3399999E-02 -0.7501000    
 C   -3.056800      0.2635000     -0.1948000    
 C    2.142900       1.198000      0.1607000    
 C   -4.152400      9.8999999E-02  0.8499000    
 C    2.556000      0.7630000       1.561000    
 H   -1.892400      -1.417600      0.4874000    
 H   -1.438600      0.1240000       1.227800    
 H  -0.8969000     -0.5656000      -1.716200    
 H  -0.4940000      0.9239000     -0.8862000    
 H    2.674000     -0.6129000     -0.8211000    
 H    1.613700      0.3656000      -1.782400    
 H   -3.366400     -0.2073000      -1.134600    
 H    1.311800       1.907800      0.2372000    
 H   -5.088100      0.5459000      0.4970000    
 H   -4.334400     -0.9567000       1.072700    
 H   -3.889100      0.6154000       1.779700    
 H    2.881700       1.629400       2.147400    
 H    3.407400      7.4500002E-02   1.522300    
 H    1.734700      0.2764000       2.095200    
 H   -3.707200       2.014900     -0.7622000    
 H    2.965000       2.212900      -1.293100    


%chk=000045470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045470

0 1
O -2.862687 1.411663 -1.043468
O 3.004294 2.046822 0.181126
O 2.188234 -2.435342 -0.271893
N 0.688547 -0.819319 -0.784236
N 0.955360 -2.158225 -0.514935
C -1.541564 -0.149139 0.209550
C -0.733531 -0.528106 -1.053535
C 1.748396 0.206312 -0.860497
C -2.986223 0.237539 -0.144692
C 1.866923 1.127865 0.390022
C -3.831498 0.573443 1.095382
C 2.173797 0.360214 1.676811
H -1.550123 -1.004364 0.910902
H -1.071421 0.709125 0.725223
H -1.169190 -1.434068 -1.512345
H -0.798703 0.296705 -1.783355
H 2.708516 -0.330547 -0.978098
H 1.561263 0.824196 -1.760900
H -3.463423 -0.599781 -0.702888
H 0.931782 1.718203 0.506174
H -4.866524 0.848210 0.814895
H -3.891033 -0.294179 1.777845
H -3.385479 1.421421 1.645355
H 2.283258 1.066074 2.517275
H 3.113230 -0.206227 1.564326
H 1.365109 -0.353239 1.912417
H -3.767285 1.752486 -1.258160
H 2.811075 2.642758 -0.587503


