%chk=000104553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104553

0 1
 O   -2.486300     -0.2542000     -0.4539000    
 O   -1.309600       2.138800      0.3896000    
 O    1.406000       2.384600     -0.1556000    
 O    2.863800     -1.7000000E-03 -0.2509000    
 O    2.962500      -2.586100      0.8166000    
 C   -2.961300      -1.579000     -0.2121000    
 C   -2.792900      -1.892500       1.273800    
 C   -2.121100      -2.531100      -1.060500    
 C   -4.432000      -1.650400     -0.6207000    
 C   -3.221400      0.7011000      0.2943000    
 C   -2.676700       2.085600      3.0000001E-04
 C  -0.7396000       3.411000      0.1158000    
 C   0.7132000       3.406300      0.5509000    
 C    2.781700       2.348400      0.1976000    
 C    3.464600       1.243500     -0.5852000    
 C    3.451600      -1.074200     -0.9739000    
 C    2.771900      -2.370200     -0.5764000    
 C    2.325700      -3.779800       1.250400    
 H   -2.897400      -2.968800       1.455100    
 H   -3.545000      -1.407800       1.905300    
 H   -1.805900      -1.583200       1.636300    
 H   -2.428300      -3.573800     -0.9289000    
 H   -2.201100      -2.277500      -2.123800    
 H   -1.059300      -2.447500     -0.8013000    
 H   -4.759900      -2.693600     -0.6996000    
 H   -4.599700      -1.169400      -1.591200    
 H   -5.104700      -1.179400      0.1040000    
 H   -3.108000      0.5405000       1.369600    
 H   -4.280100      0.7160000      2.4599999E-02
 H   -2.748600       2.290000      -1.074400    
 H   -3.249500       2.839600      0.5517000    
 H  -0.8000000       3.602100     -0.9620000    
 H   -1.288200       4.191900      0.6538000    
 H    1.167900       4.381200      0.3433000    
 H   0.7762000       3.197500       1.625200    
 H    2.867800       2.148100       1.271800    
 H    3.251300       3.311400     -3.1099999E-02
 H    4.532500       1.218700     -0.3419000    
 H    3.340500       1.421100      -1.659700    
 H    3.334200     -0.9079000      -2.050400    
 H    4.518800      -1.125500     -0.7284000    
 H    3.197600      -3.205400      -1.143500    
 H    1.697200      -2.302000     -0.7812000    
 H    1.245500      -3.720500       1.084400    
 H    2.740600      -4.647700      0.7286000    
 H    2.507600      -3.897200       2.322100    


%chk=000104553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104553

0 1
O -2.942481 0.019916 -1.083087
O -1.849951 2.464729 0.397509
O 1.124010 2.373453 -0.027679
O 2.343751 -0.407041 0.050215
O 3.118305 -3.332272 0.540673
C -2.412414 -1.167067 -0.335781
C -1.427802 -0.737255 0.773482
C -1.679470 -1.947501 -1.444513
C -3.590914 -1.996240 0.230495
C -3.675926 1.041734 -0.330736
C -3.005118 2.404794 -0.500794
C -0.956596 3.591132 0.125967
C 0.377618 3.316328 0.807475
C 2.390148 1.953772 0.578819
C 2.987762 0.861693 -0.297169
C 2.634068 -1.465728 -0.921157
C 2.106400 -2.779765 -0.364005
C 2.633975 -4.509657 1.253459
H -0.991890 -1.633676 1.254903
H -1.927514 -0.141439 1.557664
H -0.612477 -0.122585 0.357062
H -1.268321 -2.893632 -1.047105
H -2.374443 -2.179410 -2.270331
H -0.851845 -1.336859 -1.845148
H -3.218354 -2.916374 0.717773
H -4.282402 -2.283768 -0.581756
H -4.160329 -1.426543 0.988241
H -3.744705 0.807891 0.749184
H -4.704974 1.092988 -0.742682
H -2.683183 2.520893 -1.557930
H -3.726887 3.219201 -0.255593
H -0.787589 3.705872 -0.966420
H -1.397560 4.535773 0.518180
H 0.948894 4.267087 0.918973
H 0.198271 2.891553 1.818872
H 2.227084 1.554523 1.602982
H 3.088588 2.819627 0.642034
H 4.084548 0.784751 -0.124739
H 2.812890 1.119920 -1.364578
H 2.137327 -1.229700 -1.888636
H 3.728080 -1.560100 -1.096126
H 1.907892 -3.497001 -1.192874
H 1.153818 -2.588566 0.175005
H 1.752199 -4.268910 1.885717
H 2.356997 -5.330547 0.555589
H 3.462617 -4.844991 1.897063


