%chk=000048733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048733

0 1
 O  -7.5400002E-02 -0.5566000       2.294800    
 O   0.1313000       1.540000      -2.023900    
 O    3.530500      -1.114900     -0.4769000    
 N    1.706600     -0.8167000      0.8845000    
 N    1.808800      0.2081000      -1.221100    
 C  -0.2013000      0.5590000      0.1575000    
 C  -0.5675000       1.908200      0.7905000    
 C   -1.435900     -0.1900000     -0.2595000    
 C   0.4630000     -0.3074000       1.214100    
 C   0.5755000      0.8275000      -1.121200    
 C   -1.189800      -1.551000     -0.8675000    
 C   0.6671000       2.633600       1.282000    
 C   -2.652800      0.3664000     -0.1056000    
 C    2.422900     -0.6099000     -0.2846000    
 C   -1.204000      -2.658800      0.1756000    
 C   -3.979000     -0.2374000     -0.4388000    
 H   -1.221900       1.788400       1.664600    
 H   -1.065400       2.578100      7.6800004E-02
 H  -0.2592000      -1.597500      -1.440800    
 H   -1.969300      -1.763100      -1.609400    
 H    1.189000       2.081600       2.069600    
 H    1.377300       2.835000      0.4741000    
 H   0.3806000       3.602000       1.707200    
 H   -2.795000       1.358700      0.3060000    
 H    2.149000      -1.407700       1.583000    
 H    2.326700      0.3748000      -2.079400    
 H   -1.342600      -3.624600     -0.3235000    
 H   -2.023900      -2.540000      0.8917000    
 H  -0.2653000      -2.734000      0.7277000    
 H   -4.449300      0.3233000      -1.252300    
 H   -4.635800     -0.1843000      0.4357000    
 H   -3.917600      -1.286900     -0.7354000    


%chk=000048733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048733

0 1
O 0.168217 -0.443433 2.399919
O 0.200804 1.722948 -1.966457
O 3.568647 -1.196714 -0.667664
N 1.802637 -0.827152 0.818913
N 1.822320 0.225186 -1.296431
C -0.184227 0.607646 0.198888
C -0.513511 1.977348 0.875833
C -1.445634 -0.208300 -0.233615
C 0.587417 -0.245101 1.231788
C 0.606150 0.911328 -1.098190
C -1.189800 -1.609914 -0.795243
C 0.734436 2.773387 1.313316
C -2.694250 0.321252 -0.120427
C 2.472938 -0.642891 -0.403083
C -1.480181 -2.747876 0.221853
C -3.990213 -0.342761 -0.527614
H -1.147818 1.769789 1.755395
H -1.093246 2.575627 0.151660
H -0.144837 -1.704137 -1.148113
H -1.818138 -1.767038 -1.692082
H 1.332896 2.222824 2.062042
H 1.385387 3.024660 0.455599
H 0.424534 3.725748 1.778485
H -2.813021 1.325775 0.301750
H 2.283751 -1.424579 1.499942
H 2.314522 0.402192 -2.178796
H -1.273692 -3.735373 -0.230125
H -2.537890 -2.727958 0.538144
H -0.864550 -2.646169 1.131908
H -4.566644 0.320761 -1.200536
H -4.628288 -0.526666 0.359354
H -3.841416 -1.306508 -1.040915


