%chk=000125333.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125333

0 1
 O  -0.7865000      0.2299000      -1.510600    
 O   -4.475500     -7.7600002E-02   1.309100    
 O    1.633400     -0.8659000      -2.525100    
 O    2.001000       2.635600      -1.648900    
 O   0.8444000       3.291500      0.6820000    
 O    4.391300     -0.2752000       2.219100    
 O    4.641600      -2.577300      0.6842000    
 C    1.207100       1.621900      -1.030100    
 C   0.2147000       1.093700      -2.067900    
 C   -4.408200      -1.221000      0.4179000    
 C   -2.602900      0.1328000     -2.3600001E-02
 C   -3.401900     -0.9152000     -0.7010000    
 C   -1.399100      0.7086000     -0.3926000    
 C   0.4292000       2.308000      7.7799998E-02
 C  -0.8815000       1.721500      0.4171000    
 C    2.122200      0.5126000     -0.5582000    
 C   0.9760000      0.2677000      -3.103200    
 C   -5.801100      -1.513800     -0.1149000    
 C   -3.289700      0.5778000       1.096300    
 C    2.282400     -0.6442000      -1.338000    
 C   -1.585500       2.174400       1.549100    
 C   -2.811200       1.600700       1.891500    
 C    2.855800      0.6209000      0.6344000    
 C   -5.776900      -2.703000      -1.076400    
 C   -6.778000      -1.778000       1.032100    
 C    3.119700      -1.679900     -0.9101000    
 C    3.698500     -0.4102000       1.053700    
 C    3.826500      -1.562300      0.2842000    
 C    3.756600     -0.7421000       3.407900    
 C    5.997600      -2.532000      0.2442000    
 H  -0.2919000       1.919700      -2.586100    
 H   -4.046200      -2.068100       1.019000    
 H   -3.876100     -0.4909000      -1.592400    
 H   -2.816300      -1.798400     -0.9714000    
 H   0.2749000     -0.1301000      -3.845400    
 H    1.718300      0.8694000      -3.640900    
 H   -6.175100     -0.6344000     -0.6559000    
 H   -1.186600       2.967700       2.176000    
 H   -3.360100       1.944100       2.761200    
 H    2.778700       1.515300       1.247700    
 H    2.736000       2.860200      -1.053000    
 H   -5.371100      -3.597400     -0.5913000    
 H   -6.789300      -2.939900      -1.421500    
 H   -5.174600      -2.495000      -1.966000    
 H   -6.454700      -2.629100       1.641200    
 H   -7.777700      -2.002700      0.6447000    
 H   -6.871200     -0.9063000       1.687900    
 H    3.223700      -2.578800      -1.513500    
 H    4.434200     -0.5692000       4.248500    
 H    3.550800      -1.814900       3.339200    
 H    2.827700     -0.1917000       3.588000    
 H    6.047600      -2.572900     -0.8485000    
 H    6.519100      -3.402600      0.6512000    
 H    6.491400      -1.626000      0.6096000    


%chk=000125333-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125333

0 1
O -0.794403 0.275367 -1.670150
O -4.301714 -0.228261 1.445936
O 1.697218 -0.816531 -2.739209
O 2.035011 2.708806 -1.919554
O 0.975949 3.416786 0.469265
O 4.242709 -0.258318 2.269716
O 4.637209 -2.623694 0.588224
C 1.235845 1.692420 -1.218036
C 0.243236 1.157889 -2.273453
C -4.396020 -1.374893 0.435705
C -2.523823 0.060580 -0.037451
C -3.350245 -1.038332 -0.673716
C -1.357824 0.704904 -0.467122
C 0.460978 2.381470 -0.067160
C -0.802578 1.766180 0.326214
C 2.107628 0.552042 -0.694485
C 0.976173 0.330328 -3.321204
C -5.856151 -1.503125 -0.027767
C -3.148807 0.489907 1.153996
C 2.306831 -0.610559 -1.489297
C -1.482348 2.180471 1.511308
C -2.660181 1.557015 1.947342
C 2.768170 0.631662 0.555244
C -5.988409 -2.695359 -1.008321
C -6.817151 -1.663591 1.172151
C 3.156429 -1.649503 -1.050926
C 3.602593 -0.401650 1.012485
C 3.817768 -1.546866 0.185482
C 3.772265 -1.218376 3.295152
C 6.060876 -2.274696 0.813440
H -0.263228 2.018248 -2.753151
H -4.095988 -2.274922 1.008406
H -3.847700 -0.678192 -1.595396
H -2.745870 -1.918311 -0.949944
H 0.275783 -0.115249 -4.044271
H 1.697027 0.992388 -3.837299
H -6.113880 -0.567971 -0.566927
H -1.035237 2.999711 2.084079
H -3.180181 1.863797 2.857530
H 2.633156 1.506552 1.199875
H 2.219787 3.418862 -1.238831
H -5.722328 -3.647115 -0.509541
H -7.031654 -2.783180 -1.360442
H -5.341312 -2.581762 -1.896966
H -6.598540 -2.595091 1.729479
H -7.864766 -1.716951 0.824257
H -6.723567 -0.816815 1.872316
H 3.316604 -2.529074 -1.679649
H 4.368799 -1.004625 4.195283
H 3.933139 -2.260501 2.962885
H 2.698434 -1.054096 3.506854
H 6.526657 -1.964379 -0.140951
H 6.532893 -3.199691 1.177827
H 6.156236 -1.465807 1.559067


