%chk=000016058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016058

0 1
 O   0.3394000       3.181000      0.3443000    
 O    4.526200       1.137400     -8.9299999E-02
 O   -2.305000       1.487300     -0.2992000    
 O    2.061300      -1.485700     -5.3599998E-02
 O   -2.630700      -1.213500      0.2812000    
 O  -0.3799000      -2.811600     -0.1755000    
 C  -0.7891000       3.304400     -0.5307000    
 C    3.216700      0.5817000     -0.2641000    
 C  -7.7299997E-02   4.510800      8.8000000E-03
 C    3.704800       1.035300       1.080900    
 C   -2.080500       2.845100      5.3700000E-02
 C    3.199400     -0.8622000     -0.6319000    
 C   -3.530200       1.004600      0.2385000    
 C    2.003300      -2.869300     -0.3789000    
 C   -3.725100     -0.4369000     -0.1905000    
 C   0.7851000      -3.482800      0.2838000    
 C   -2.761000      -2.577800     -9.3099996E-02
 C   -1.557400      -3.347700      0.4156000    
 H  -0.6647000       3.060500      -1.576800    
 H    2.469600       1.173500     -0.7745000    
 H  -0.5563000       5.096300      0.7828000    
 H   0.5531000       5.075500     -0.6655000    
 H    3.972400      0.2891000       1.817700    
 H    3.298600       1.952300       1.487500    
 H   -2.075900       2.947400       1.145800    
 H   -2.891000       3.463000     -0.3496000    
 H    3.155800     -0.9541000      -1.723300    
 H    4.108500      -1.364200     -0.2789000    
 H   -3.482000       1.060700       1.332200    
 H   -4.365000       1.616700     -0.1201000    
 H    1.923500      -2.972600      -1.467300    
 H    2.910800      -3.375600     -3.1800002E-02
 H   -3.754400     -0.4945000      -1.284800    
 H   -4.664200     -0.8253000      0.2188000    
 H   0.8581000      -3.362400       1.371000    
 H   0.7244000      -4.549200      4.0199999E-02
 H   -3.679100      -2.995400      0.3345000    
 H   -2.806200      -2.644800      -1.186400    
 H   -1.654600      -4.407500      0.1557000    
 H   -1.487200      -3.245200       1.504800    


%chk=000016058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016058

0 1
O 0.502692 2.827735 0.157772
O 4.279805 1.553769 -0.421712
O -2.460965 1.539316 -0.506945
O 2.160343 -1.481450 0.229568
O -2.914885 -1.319441 0.376703
O -0.445641 -3.010045 -0.249895
C -0.760192 3.221189 -0.576308
C 3.065300 0.727849 -0.027916
C 0.111025 4.279122 0.028838
C 4.057620 1.133792 1.014040
C -2.066479 2.824884 0.067297
C 3.077483 -0.677902 -0.588209
C -3.646127 0.969611 0.140905
C 1.963997 -2.829387 -0.309999
C -3.825668 -0.453059 -0.370450
C 0.781121 -3.461321 0.411135
C -2.837585 -2.676292 -0.170030
C -1.656471 -3.382330 0.482936
H -0.706408 3.042952 -1.657627
H 2.117138 1.274825 -0.086554
H -0.192345 4.752578 0.972138
H 0.758178 4.881669 -0.619199
H 4.772609 0.390415 1.390357
H 3.806110 1.950654 1.700729
H -1.931367 2.747645 1.168158
H -2.845595 3.596698 -0.140861
H 2.737894 -0.671797 -1.647424
H 4.110517 -1.091379 -0.555273
H -3.519126 0.947700 1.244502
H -4.543900 1.582093 -0.103364
H 1.747060 -2.792227 -1.399563
H 2.883184 -3.438067 -0.152610
H -3.597392 -0.482554 -1.457825
H -4.881015 -0.779008 -0.221208
H 0.794118 -3.146658 1.476782
H 0.852701 -4.572570 0.366707
H -3.782231 -3.227386 0.042496
H -2.680927 -2.651290 -1.269825
H -1.802306 -4.486725 0.446675
H -1.588070 -3.069307 1.547064


