%chk=000005794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005794

0 1
 O    4.271500       1.926200      0.3780000    
 O    4.239100      0.3615000       2.210600    
 O  -0.4923000      -2.047800      0.7254000    
 O   -3.234400      -1.585200      0.6982000    
 O   -3.989700       1.105000      0.5558000    
 C    1.684200     -0.3234000     -0.9287000    
 C    1.665400      -1.236300      0.1404000    
 C   0.7829000     -0.5114000      -2.106000    
 C    2.547700      0.7744000     -0.9112000    
 C    1.435200      -1.361200      -3.203800    
 C    3.371200      0.9240000      0.1860000    
 C   0.7421000      -2.411300      0.1217000    
 C    2.510000      -1.061900       1.239500    
 C    3.352900      3.0400001E-02   1.232400    
 C   0.5004000      -1.576200      -4.383500    
 C    4.818400       1.563100       1.662200    
 C   -1.409000      -3.133800      0.7330000    
 C   -3.335200       3.316200     -8.8600002E-02
 C   -2.693200      -2.692600       1.408400    
 C   -4.410600       2.243200     -0.1831000    
 C   -2.007800       2.836400     -0.6689000    
 C   -4.957200      6.3600004E-02  0.5050000    
 C   -4.442900      -1.128400       1.289000    
 C  -0.9486000       3.925400     -0.6118000    
 H   0.5294000      0.4733000      -2.523000    
 H  -0.1849000     -0.9312000      -1.808600    
 H    2.577400       1.488100      -1.727800    
 H    1.740600      -2.337100      -2.809700    
 H    2.349500     -0.8701000      -3.559300    
 H   0.5792000      -2.805900     -0.8857000    
 H    1.191100      -3.234000      0.6943000    
 H    2.507400      -1.754600       2.074400    
 H   0.9936000      -2.176700      -5.154200    
 H   0.2087000     -0.6210000      -4.831500    
 H  -0.4077000      -2.102000      -4.071900    
 H    4.645300       2.387700       2.363100    
 H    5.898900       1.414000       1.554000    
 H  -0.9786000      -3.985800       1.270500    
 H   -1.618700      -3.425900     -0.3026000    
 H   -3.673700       4.214600     -0.6173000    
 H   -3.184800       3.587000      0.9637000    
 H   -3.412800      -3.518500       1.419600    
 H   -2.479900      -2.382600       2.437900    
 H   -4.579400       1.967600      -1.230600    
 H   -5.347800       2.627700      0.2355000    
 H   -1.642800       1.961400     -0.1187000    
 H   -2.146600       2.527200      -1.711500    
 H   -5.902800      0.4132000      0.9337000    
 H   -5.116000     -0.2234000     -0.5410000    
 H   -5.188600      -1.930800       1.280100    
 H   -4.242900     -0.8297000       2.324600    
 H  -0.7608000       4.236300      0.4208000    
 H  -6.6999998E-03   3.559600      -1.032600    
 H   -1.258000       4.804900      -1.185400    


%chk=000005794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005794

0 1
O 4.877862 1.549379 0.307095
O 5.459271 -0.424623 1.541583
O -0.118974 -2.311630 1.335670
O -2.959054 -1.851951 0.466736
O -3.949559 0.995298 -0.317046
C 1.659061 -0.347627 -0.297896
C 2.010655 -1.520867 0.439203
C 0.324580 -0.229199 -1.022965
C 2.579893 0.738698 -0.374644
C 0.362537 -0.793493 -2.472862
C 3.806667 0.615775 0.279113
C 1.059748 -2.695669 0.529403
C 3.270190 -1.621896 1.099469
C 4.146358 -0.541684 1.004628
C -1.018009 -0.704285 -3.158149
C 5.842242 0.989058 1.291346
C -1.195834 -3.305286 1.267382
C -3.525524 3.228067 -1.177439
C -2.503536 -2.617408 1.632652
C -4.156238 1.865504 -1.483649
C -1.994304 3.167054 -0.980921
C -4.585586 -0.312483 -0.482469
C -4.237940 -1.178816 0.720823
C -1.382349 4.545732 -0.656483
H 0.029736 0.836288 -1.076546
H -0.469142 -0.742095 -0.451053
H 2.324898 1.646129 -0.929822
H 0.699399 -1.849497 -2.452121
H 1.119440 -0.241126 -3.064797
H 0.709168 -3.002250 -0.480747
H 1.566846 -3.568577 0.993869
H 3.536158 -2.515325 1.671836
H -0.991562 -1.122371 -4.181494
H -1.354265 0.348337 -3.228764
H -1.776866 -1.257773 -2.573473
H 5.761353 1.558649 2.237420
H 6.853285 1.015856 0.856957
H -0.990835 -4.139026 1.974925
H -1.283588 -3.725022 0.241403
H -3.768550 3.920507 -2.009864
H -4.001294 3.639955 -0.265521
H -3.266013 -3.382330 1.908618
H -2.343605 -1.945683 2.502984
H -3.686607 1.403563 -2.382730
H -5.247688 1.974739 -1.681574
H -1.770612 2.448562 -0.171008
H -1.528413 2.759863 -1.902902
H -5.690198 -0.184452 -0.552518
H -4.232228 -0.813808 -1.410317
H -5.031907 -1.943136 0.884071
H -4.174760 -0.535846 1.624707
H -1.810763 4.959248 0.276262
H -0.287148 4.478434 -0.520479
H -1.578691 5.273738 -1.467103


