%chk=000042752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042752

0 1
 O   -2.309500      0.5551000     -0.3668000    
 O    2.471000      0.3817000     -0.3540000    
 O   -1.221700      0.7923000       1.643100    
 O    1.389200      0.6453000       1.653600    
 C   7.7900000E-02  0.4551000     -0.4082000    
 C  -4.2800002E-02 -0.8534000      -1.241500    
 C  -0.3413000      -2.160800     -0.4680000    
 C   0.2000000       1.664000      -1.363700    
 C   -1.583600      -2.084800      0.4174000    
 C   0.8728000      -2.527100      0.3944000    
 C   -1.199900      0.6351000      0.4286000    
 C    1.362900      0.4907000      0.4383000    
 C   -3.566700      0.6677000      0.3076000    
 C    3.730300      0.4586000      0.3219000    
 C   -4.683100      0.5593000     -0.7091000    
 C    4.844300      0.3211000     -0.6938000    
 H   0.8720000      -1.001000      -1.831300    
 H  -0.8431000     -0.7296000      -1.984700    
 H  -0.4867000      -2.956200      -1.209900    
 H  -0.7001000       1.785100      -1.977000    
 H    1.047700       1.563200      -2.050900    
 H   0.3356000       2.595800     -0.8013000    
 H   -2.465800      -1.780300     -0.1459000    
 H   -1.815000      -3.108000      0.7469000    
 H   -1.453300      -1.541700       1.351600    
 H   0.7787000      -3.564800      0.7357000    
 H   0.9535000      -1.913900       1.294800    
 H    1.806800      -2.459500     -0.1726000    
 H   -3.667000     -0.1234000       1.058300    
 H   -3.621600       1.641900      0.8065000    
 H    3.812100       1.424500      0.8327000    
 H    3.798800     -0.3501000       1.058000    
 H   -5.660700      0.6504000     -0.2278000    
 H   -4.588900       1.341100      -1.470000    
 H   -4.634700     -0.4013000      -1.232700    
 H    5.823700      0.3752000     -0.2102000    
 H    4.764600     -0.6327000      -1.225800    
 H    4.777700       1.112100      -1.448000    


%chk=000042752-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042752

0 1
O -2.425018 0.544744 -0.345243
O 2.399379 0.497957 -0.230180
O -1.171707 1.865211 1.095252
O 1.094714 0.039103 1.633900
C 0.002393 0.448584 -0.571113
C -0.241943 -0.921628 -1.305366
C -0.300020 -2.269283 -0.517177
C 0.297462 1.529582 -1.664139
C -1.247596 -2.256619 0.707371
C 1.096408 -2.826960 -0.134820
C -1.220901 1.002060 0.192285
C 1.175842 0.323270 0.419120
C -3.664239 1.137580 0.248262
C 3.616908 0.311617 0.618806
C -4.846613 0.505554 -0.478420
C 4.821900 0.613829 -0.265359
H 0.558465 -1.011934 -2.066564
H -1.194975 -0.794739 -1.850732
H -0.727916 -2.985890 -1.251831
H -0.549831 1.576725 -2.371213
H 1.212745 1.264863 -2.215623
H 0.438289 2.524595 -1.208388
H -2.265268 -1.937571 0.421526
H -1.311686 -3.269886 1.146790
H -0.876169 -1.574253 1.493170
H 1.005110 -3.876040 0.204079
H 1.556670 -2.258326 0.691129
H 1.785946 -2.810157 -1.000184
H -3.664153 0.920788 1.331518
H -3.620142 2.234230 0.118755
H 3.540686 0.992493 1.485314
H 3.617170 -0.727193 0.997221
H -5.792392 0.913146 -0.077079
H -4.807958 0.720724 -1.560067
H -4.855545 -0.589354 -0.340673
H 5.752569 0.491428 0.318254
H 4.861998 -0.071433 -1.129418
H 4.783518 1.649879 -0.642966


