%chk=000116108.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116108

0 1
 O   0.5020000     -0.5275000       1.037900    
 O   -3.760900      0.8810000      0.4026000    
 O   -3.953500     -0.9649000     -0.9505000    
 N   -2.358400     -0.8480000      0.7312000    
 C  -0.5908000      -2.083500     -0.4506000    
 C    1.754000      -1.145300     -0.9312000    
 C   -1.749900      -2.136700      0.5355000    
 C   0.5502000      -1.177800     -5.2000000E-03
 C    2.834700     -0.2006000     -0.4754000    
 C    2.813000       1.119300     -0.9031000    
 C    3.836800     -0.6637000      0.3655000    
 C    3.813800       1.994400     -0.4810000    
 C    4.837600      0.2115000      0.7876000    
 C   -3.409700     -0.3678000     -2.7300000E-02
 C    4.826100       1.540500      0.3644000    
 C   -4.843800       1.501400     -0.2995000    
 C   -5.101200       2.867800      0.2990000    
 H  -0.1855000      -3.092700     -0.5815000    
 H  -0.9420000      -1.720400      -1.423200    
 H    2.156800      -2.162300      -1.007900    
 H    1.411000     -0.8590000      -1.932700    
 H   -1.405000      -2.481500       1.516200    
 H   -2.509200      -2.839200      0.1752000    
 H   -1.991500     -0.2509000       1.466200    
 H    2.027800       1.483300      -1.559700    
 H    3.853600      -1.696300      0.7026000    
 H    3.804500       3.029400     -0.8099000    
 H    5.625500     -0.1417000       1.446300    
 H    5.605300       2.222000      0.6933000    
 H   -5.742200      0.8811000     -0.2061000    
 H   -4.580600       1.604500      -1.358100    
 H   -5.924600       3.371300     -0.2151000    
 H   -5.347700       2.782400       1.362500    
 H   -4.205400       3.493800      0.2297000    


%chk=000116108-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116108

0 1
O 0.216309 -2.396292 1.314266
O -3.160957 0.807774 0.706663
O -3.229804 0.103613 -1.546859
N -2.185544 -1.165566 0.135763
C -0.213086 -2.130116 -1.074274
C 2.193748 -2.000019 -0.056316
C -1.717289 -2.240544 -0.742537
C 0.686135 -2.206878 0.157721
C 2.519135 -0.506429 -0.152018
C 2.997789 0.060760 -1.359440
C 2.326939 0.335501 0.974260
C 3.287145 1.442461 -1.440229
C 2.614868 1.715517 0.894202
C -2.880856 -0.082985 -0.349242
C 3.096272 2.274101 -0.313331
C -3.925376 2.023806 0.317670
C -4.076381 2.865788 1.581480
H 0.080534 -2.944791 -1.769507
H -0.000137 -1.183172 -1.609276
H 2.716103 -2.455926 0.803440
H 2.516226 -2.511265 -0.981560
H -1.916712 -3.211318 -0.253899
H -2.305056 -2.187355 -1.674212
H -1.913993 -1.188265 1.120076
H 3.153257 -0.579822 -2.236463
H 1.948931 -0.094543 1.909471
H 3.661167 1.866828 -2.378711
H 2.463765 2.354450 1.771451
H 3.320322 3.344773 -0.374814
H -4.901337 1.711621 -0.097263
H -3.369311 2.553447 -0.477297
H -4.644367 3.786316 1.353376
H -4.618323 2.307183 2.363873
H -3.089318 3.155247 1.981237


