%chk=000094199.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094199

0 1
 O   -3.708800      0.8372000      -1.441500    
 O   -5.313700     -0.6563000       1.149400    
 O    6.562900     -0.2491000     -0.3038000    
 C   -2.149800     -0.2958000      0.2019000    
 C   -3.551500      7.8800000E-02 -0.2365000    
 C   -1.323700      0.9521000     -0.2172000    
 C   -3.619100       1.576100     -0.2163000    
 C   0.1108000      0.9063000      0.3014000    
 C   -2.251000       2.132200      0.1150000    
 C   0.8086000     -0.3629000     -0.2775000    
 C   -1.531200      -1.497000     -0.5105000    
 C  -4.4399999E-02  -1.659000     -0.1337000    
 C    2.290100     -0.4967000      0.2575000    
 C   -2.201600     -0.5355000       1.731200    
 C   0.8842000       2.166800     -0.1083000    
 C   -4.736600     -0.7347000      6.6000000E-02
 C    3.012100      0.8579000      0.2033000    
 C    3.045900      -1.515400     -0.6466000    
 C    2.366900       2.024400      2.5900001E-02
 C    2.316700     -0.9937000       1.723000    
 C    4.516100      0.8436000      0.3518000    
 C    4.557900      -1.549400     -0.4284000    
 C   -5.211400      -1.666900      -1.015600    
 C    5.170600     -0.1629000     -0.5904000    
 H   -1.245700      0.9525000      -1.318700    
 H   -4.474500       2.109100      0.1619000    
 H   0.1056000      0.8628000       1.395800    
 H   -2.195200       2.405600       1.173500    
 H   -2.023300       3.013300     -0.4920000    
 H   0.8795000     -0.1917000      -1.364600    
 H   -1.615000      -1.378500      -1.598600    
 H   -2.073400      -2.417800     -0.2634000    
 H   3.3000000E-03  -2.034200      0.8925000    
 H   0.3793000      -2.448500     -0.7650000    
 H   -1.214200     -0.6777000       2.177400    
 H   -2.676700      0.2982000       2.260200    
 H   -2.782800      -1.435800       1.963100    
 H   0.5519000       3.007600      0.5125000    
 H   0.6644000       2.435700      -1.149100    
 H    2.864500      -1.274000      -1.702900    
 H    2.654400      -2.527700     -0.4902000    
 H    2.936200       2.949500     -2.5300000E-02
 H    3.327800     -0.9948000       2.143800    
 H    1.704300     -0.3647000       2.377300    
 H    1.952400      -2.022300       1.808600    
 H    4.951400       1.834100      0.1658000    
 H    4.782200      0.6106000       1.390600    
 H    4.796800      -1.956600      0.5618000    
 H    5.017400      -2.241600      -1.145000    
 H   -5.870400      -1.125100      -1.698300    
 H   -4.361400      -2.074800      -1.568400    
 H   -5.757900      -2.499600     -0.5642000    
 H    5.063000      0.1775000      -1.627700    
 H    6.953500     -0.8814000     -0.9310000    


%chk=000094199-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094199

0 1
O -3.617631 0.540065 -1.653588
O -4.577849 -2.162498 0.619166
O 6.710896 -0.014230 -0.172349
C -2.089464 -0.509491 0.174859
C -3.523555 -0.198041 -0.310832
C -1.317822 0.772927 -0.285910
C -3.653701 1.316547 -0.365246
C 0.127996 0.836282 0.234744
C -2.302377 1.945161 -0.017581
C 0.895195 -0.433751 -0.263799
C -1.380273 -1.725536 -0.459473
C 0.110815 -1.760678 -0.023206
C 2.370404 -0.487027 0.292208
C -2.169807 -0.636970 1.725611
C 0.844589 2.107532 -0.276270
C -4.698207 -1.122682 -0.088929
C 3.045118 0.893417 0.144242
C 3.183777 -1.524019 -0.559002
C 2.347998 2.030615 -0.125483
C 2.403617 -0.903530 1.796738
C 4.558246 0.943311 0.327756
C 4.704940 -1.506918 -0.284280
C -6.003358 -0.789274 -0.794425
C 5.282591 -0.102527 -0.536421
H -1.244952 0.695187 -1.390953
H -4.598676 1.838914 -0.177167
H 0.135456 0.859709 1.343449
H -2.304456 2.266801 1.041986
H -2.095375 2.831389 -0.643713
H 0.985724 -0.306310 -1.367735
H -1.451291 -1.646425 -1.563241
H -1.875778 -2.668748 -0.161675
H 0.154341 -2.031088 1.047883
H 0.613267 -2.583215 -0.566987
H -1.166927 -0.705312 2.177991
H -2.679532 0.232370 2.181007
H -2.736438 -1.542135 1.997018
H 0.463501 3.000428 0.260276
H 0.587479 2.270137 -1.347344
H 3.011944 -1.304959 -1.633773
H 2.792687 -2.541646 -0.372297
H 2.904191 2.972987 -0.241914
H 3.402943 -0.745937 2.237270
H 1.688767 -0.303807 2.388365
H 2.151811 -1.971757 1.928513
H 4.942196 1.950803 0.087803
H 4.840525 0.737239 1.380604
H 4.921752 -1.795728 0.762331
H 5.207412 -2.251172 -0.936275
H -6.311364 0.257187 -0.618432
H -5.869300 -0.891300 -1.886609
H -6.789410 -1.476913 -0.446527
H 5.151791 0.152399 -1.612843
H 7.212976 -0.697983 -0.685043


