%chk=000050352.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050352

0 1
 O    4.286100     -0.7219000      -1.598700    
 O    4.596400      0.5406000       1.787400    
 O   -2.482400      -3.139700       1.199900    
 C   0.1543000      0.2158000     -0.1231000    
 C    1.577100      0.3671000     -0.1395000    
 C    2.411600     -0.7747000     -0.1583000    
 C  -0.3878000      -1.093800     -0.1352000    
 C    3.918000     -0.6463000     -0.2210000    
 C  -0.7719000       1.290500     -8.6599998E-02
 C   -1.779700      -1.290600     -0.1204000    
 C    4.446100      0.6670000      0.3756000    
 C   -2.166300       1.096600     -7.1000002E-02
 C   -2.676600     -0.2140000     -8.9400001E-02
 C    1.843200      -2.050900     -0.1748000    
 C   0.4619000      -2.206000     -0.1613000    
 C    2.231800       1.690900     -0.1454000    
 C    3.538000       1.828600      0.1185000    
 C  -0.3543000       2.727800      5.1700000E-02
 C   -2.333500      -2.692100     -0.1365000    
 C   -3.061300       2.180100     -3.6300000E-02
 C   -4.067700     -0.4141000     -7.4000001E-02
 C   -4.440000       1.967800     -2.1299999E-02
 C   -4.943100      0.6712000     -4.0399998E-02
 H    4.382300      -1.495500      0.2943000    
 H    5.432600      0.8936000     -4.6300001E-02
 H    2.476400      -2.934600     -0.1970000    
 H   0.1200000      -3.234500     -0.1418000    
 H    1.787300       2.568900     -0.5773000    
 H    3.994500       2.812000      4.1900001E-02
 H   -1.071100       3.393800      0.5337000    
 H   0.4338000       2.832400      0.8027000    
 H  -0.1098000       3.169400     -0.9187000    
 H   -3.293200      -2.780200     -0.6512000    
 H   -1.724500      -3.406400     -0.6958000    
 H   -2.783100       3.225400     -9.1200002E-02
 H   -4.535500      -1.392000     -5.7700001E-02
 H    3.850400      6.2000002E-03  -2.074100    
 H   -5.121300       2.813700     -9.3999999E-03
 H   -6.016200      0.5045000     -2.5900001E-02
 H    5.236300     -0.1730000       1.951300    
 H   -1.667700      -2.936300       1.689800    


%chk=000050352-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050352

0 1
O 4.438220 -1.064558 -1.468513
O 4.613458 1.117602 1.588924
O -3.144564 -3.217442 0.835291
C 0.165570 0.217292 -0.033903
C 1.618432 0.377148 -0.151366
C 2.462774 -0.740389 -0.015059
C -0.382436 -1.145406 -0.091300
C 3.969438 -0.597062 -0.133576
C -0.732271 1.315094 0.158762
C -1.792322 -1.359849 -0.191974
C 4.507395 0.831756 0.134976
C -2.146800 1.098381 0.046952
C -2.679778 -0.240256 -0.163648
C 1.909324 -2.052151 0.112755
C 0.540748 -2.252567 0.016206
C 2.251813 1.653633 -0.547548
C 3.594852 1.879642 -0.449516
C -0.256452 2.690553 0.613536
C -2.373792 -2.755461 -0.346131
C -3.079284 2.197062 0.123882
C -4.108758 -0.408026 -0.275629
C -4.450354 2.000830 -0.010378
C -4.972172 0.679997 -0.207080
H 4.467491 -1.300296 0.559279
H 5.511235 0.883905 -0.336353
H 2.588818 -2.905276 0.217732
H 0.158369 -3.275808 0.045072
H 1.617561 2.424194 -0.993936
H 4.029426 2.831840 -0.769781
H -0.915846 3.065940 1.415994
H 0.761527 2.654726 1.027127
H -0.270595 3.447352 -0.195575
H -3.116047 -2.775186 -1.161483
H -1.599761 -3.499245 -0.600908
H -2.700777 3.213103 0.263807
H -4.519511 -1.414909 -0.382281
H 3.876986 -0.629180 -2.161527
H -5.135315 2.854684 0.035782
H -6.053927 0.530019 -0.292945
H 5.350312 0.566081 1.961988
H -2.611887 -3.030466 1.649545


