%chk=000047590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047590

0 1
 O   0.3345000     -0.7133000      -1.874100    
 O    1.870200      -3.576500      0.8670000    
 O    3.931400      -3.320900     -2.5100000E-02
 N    1.069100      -1.155000      0.2838000    
 C    2.449700      -1.409300     -5.4000001E-02
 C    3.386800     -0.4474000      0.6880000    
 C   -1.249300     -0.6086000     -4.6100002E-02
 C    3.090200       1.004400      0.3987000    
 C   -2.311200     -0.2434000      -1.081600    
 C   0.1179000     -0.8243000     -0.6703000    
 C   -3.656900     -1.5400000E-02 -0.4431000    
 C    2.833800      -2.849200      0.2529000    
 C    3.724800       1.628600     -0.6634000    
 C    2.188900       1.686600       1.200600    
 C   -4.531200      -1.082400     -0.2954000    
 C   -4.001300       1.257700     -1.3100000E-02
 C    3.450900       2.970000     -0.9307000    
 C    1.915100       3.027900      0.9331000    
 C    2.546000       3.669700     -0.1325000    
 C   -5.777000     -0.8715000      0.2954000    
 C   -5.247200       1.468400      0.5778000    
 C   -6.135000      0.4038000      0.7321000    
 H    2.572800      -1.285600      -1.136900    
 H    4.432200     -0.6631000      0.4295000    
 H    3.322000     -0.6195000       1.771600    
 H   -1.533400      -1.527500      0.4818000    
 H   -1.159200      0.1877000      0.7034000    
 H   0.7854000      -1.262900       1.253600    
 H   -2.008600      0.6562000      -1.633700    
 H   -2.390500      -1.034800      -1.838500    
 H    4.429000       1.091200      -1.291900    
 H    1.693500       1.198300       2.034900    
 H   -4.261000      -2.079800     -0.6305000    
 H   -3.316100       2.092900     -0.1269000    
 H    3.941600       3.469600      -1.760900    
 H    1.210600       3.572700       1.554800    
 H    2.332500       4.713900     -0.3408000    
 H   -6.468200      -1.700500      0.4160000    
 H   -5.525800       2.461400      0.9184000    
 H   -7.105000      0.5679000       1.192500    
 H    2.163100      -4.495100       1.047800    


%chk=000047590-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047590

0 1
O 0.389241 -0.346370 -1.841249
O 1.957862 -3.505610 0.950370
O 3.808757 -3.351349 -0.446102
N 1.008150 -1.100581 0.270694
C 2.397253 -1.353478 -0.107309
C 3.432294 -0.479549 0.675488
C -1.328615 -0.394801 -0.078769
C 3.208798 1.025857 0.578955
C -2.426135 -0.706631 -1.132555
C 0.078462 -0.614306 -0.638509
C -3.812404 -0.318132 -0.641377
C 2.805227 -2.817090 0.068042
C 2.773087 1.653903 -0.616326
C 3.502860 1.839486 1.703397
C -4.705344 -1.290559 -0.123040
C -4.232927 1.038000 -0.666562
C 2.646928 3.059507 -0.683906
C 3.379959 3.245534 1.637307
C 2.952453 3.862248 0.439216
C -5.982422 -0.921713 0.359444
C -5.507359 1.412169 -0.186201
C -6.387669 0.432326 0.330693
H 2.466187 -1.126653 -1.187190
H 4.433232 -0.740321 0.277516
H 3.427338 -0.784623 1.740364
H -1.493230 -0.991427 0.838978
H -1.408565 0.670521 0.215683
H 0.702380 -1.377767 1.204545
H -2.161619 -0.160544 -2.056188
H -2.393310 -1.784338 -1.378446
H 2.507057 1.055176 -1.494577
H 3.834193 1.368444 2.637798
H -4.400249 -2.344592 -0.104246
H -3.559617 1.802128 -1.076157
H 2.305054 3.525316 -1.614913
H 3.614689 3.855680 2.516958
H 2.854416 4.952184 0.383246
H -6.660460 -1.688473 0.751684
H -5.816853 2.463131 -0.219636
H -7.378144 0.720289 0.700644
H 2.284143 -4.440093 1.056436


