%chk=000107848.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107848

0 1
 O  -0.6856000      0.3780000     -0.9993000    
 O    1.001800       1.714700     -0.1156000    
 O   -2.326600     -0.6232000      0.3231000    
 O   -2.375200       2.619200      -1.360400    
 O   -5.222800       1.897800      -1.134300    
 O   -5.700700      0.4136000       1.299800    
 O   0.3330000      -2.645000      -2.868000    
 O   -2.698200      -2.344100       2.434100    
 O    5.456300      0.4090000      4.7499999E-02
 O    4.809100       2.016300       1.582700    
 C    1.521200     -0.5722000     -0.9354000    
 C    2.933600     -0.4860000     -0.3125000    
 C   0.5220000      0.3688000     -0.2369000    
 C    3.001200      -1.629500      0.7114000    
 C    1.191900      -2.030800     -0.7300000    
 C   -1.821100      0.6161000     -0.1680000    
 C   -2.878700       1.330700      -1.009200    
 C    2.002500      -2.598500      0.1724000    
 C    3.217600      0.8618000      0.2591000    
 C   -4.188400       1.490800     -0.2371000    
 C   -4.614600      0.1725000      0.4091000    
 C   -3.452900     -0.4525000       1.185200    
 C   9.2600003E-02  -2.705500      -1.470000    
 C    2.301700       1.834300      0.2938000    
 C   -3.818800      -1.825000       1.741300    
 C    4.568100       1.181800      0.7234000    
 C    6.831000      0.6069000      0.3936000    
 H    1.581100     -0.3329000      -2.004900    
 H    3.647500     -0.7011000      -1.122200    
 H   0.3217000     -8.8000000E-03  0.7776000    
 H    2.721500      -1.318800       1.724100    
 H    4.003500      -2.068600      0.7414000    
 H   -1.534900       1.260000      0.6761000    
 H   -3.054400      0.7921000      -1.948100    
 H    1.941400      -3.629100      0.4918000    
 H   -4.105800       2.281400      0.5188000    
 H   -4.973600     -0.5143000     -0.3673000    
 H   -3.153100      0.1853000       2.028000    
 H  -0.8707000      -2.233600      -1.266900    
 H   3.4000000E-03  -3.759800      -1.187000    
 H    2.492500       2.849000      0.6170000    
 H   -4.070900      -2.527800      0.9402000    
 H   -4.659400      -1.768700       2.438700    
 H   -2.217500       3.115700     -0.5392000    
 H   -4.929600       2.721800      -1.559700    
 H   -5.388500       1.013000       1.999000    
 H    1.178900      -3.092200      -3.042900    
 H   -1.957000      -2.385400       1.805700    
 H    7.436000     -6.8499997E-02 -0.2172000    
 H    6.993700      0.3673000       1.448800    
 H    7.130500       1.637400      0.1803000    


%chk=000107848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107848

0 1
O -0.713974 0.458229 -0.813706
O 1.006768 1.703880 0.167936
O -2.278875 -0.549032 0.615137
O -2.634197 2.618135 -1.391255
O -5.383030 1.835348 -0.915991
O -5.794037 0.333756 1.501230
O 0.279311 -2.354203 -3.277411
O -2.602298 -2.236983 2.857850
O 5.575784 0.176257 0.297284
O 5.078346 2.276836 1.189994
C 1.519915 -0.471857 -1.017013
C 2.962978 -0.444332 -0.409457
C 0.536996 0.304570 -0.126475
C 3.041100 -1.730239 0.486532
C 1.176811 -1.966483 -1.007553
C -1.854985 0.732463 0.031388
C -2.960606 1.285321 -0.882163
C 2.008760 -2.638281 -0.161306
C 3.301345 0.872502 0.256744
C -4.251347 1.449699 -0.069750
C -4.652264 0.131770 0.610596
C -3.490574 -0.394397 1.475341
C 0.051339 -2.544170 -1.823343
C 2.353065 1.843647 0.451944
C -3.746371 -1.782197 2.066114
C 4.686066 1.215420 0.637760
C 6.995707 0.434868 0.627765
H 1.476921 -0.027753 -2.027617
H 3.670488 -0.599792 -1.245290
H 0.394357 -0.181328 0.859716
H 2.779194 -1.509417 1.541915
H 4.058994 -2.155785 0.495443
H -1.590675 1.453410 0.836453
H -3.111149 0.561880 -1.710444
H 1.943030 -3.712267 0.047745
H -4.076960 2.225143 0.709047
H -4.896998 -0.608243 -0.182478
H -3.272034 0.328415 2.289875
H -0.892481 -2.007521 -1.635621
H -0.088769 -3.618540 -1.583860
H 2.595022 2.835095 0.845398
H -3.976222 -2.494094 1.244654
H -4.602774 -1.735292 2.755090
H -1.794286 2.560485 -1.914051
H -5.129568 2.656140 -1.410785
H -6.489841 0.814129 0.981474
H 1.129545 -2.804171 -3.518204
H -1.803539 -2.184492 2.271446
H 7.528917 -0.472157 0.309219
H 7.112714 0.606786 1.711042
H 7.360679 1.322245 0.083543


