%chk=000113724.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113724

0 1
 O  -5.6499999E-02 -0.2155000     -0.2673000    
 O    2.282600      -1.588500      0.4080000    
 O    2.093100       1.120800     -0.2020000    
 O    4.536000      -1.951500      5.1300000E-02
 O    3.454100       2.819500     -0.9761000    
 C   -3.572900       1.014400      0.4326000    
 C   -4.209000     -0.3918000      0.5409000    
 C   -3.633100      -1.407500     -0.4598000    
 C   -2.034900      0.8997000      0.4968000    
 C   -1.458400     -0.1059000     -0.5002000    
 C   -2.107100      -1.479800     -0.3457000    
 C   -4.059500       1.875000       1.614100    
 C   -4.010900       1.710600     -0.8704000    
 C   -4.252500      -2.787600     -0.2382000    
 C   0.5532000      -1.108500      -1.187400    
 C    2.056100      -1.162200     -0.9375000    
 C    2.698800      0.2077000      -1.111000    
 C    3.591200      -1.684500      0.7814000    
 C    2.569700       2.401000     -0.2414000    
 C    3.716400      -1.409900       2.249400    
 C    1.843600       3.244400      0.7625000    
 H   -4.054300     -0.7768000       1.558700    
 H   -5.296000     -0.3199000      0.4038000    
 H   -3.893800      -1.091900      -1.477600    
 H   -1.567200       1.879900      0.3343000    
 H   -1.726400      0.6026000       1.509300    
 H   -1.610000      0.2701000      -1.519400    
 H   -1.772000      -2.169700      -1.127000    
 H   -1.810200      -1.928200      0.6118000    
 H   -3.775800       1.429500       2.574200    
 H   -5.150500       1.978200       1.605500    
 H   -3.627500       2.881400       1.574800    
 H   -5.101100       1.815300     -0.9106000    
 H   -3.703500       1.161900      -1.764900    
 H   -3.580100       2.716000     -0.9406000    
 H   -3.871100      -3.507100     -0.9704000    
 H   -4.026100      -3.170800      0.7626000    
 H   -5.341400      -2.745700     -0.3464000    
 H   0.1956000      -2.129100      -1.028600    
 H   0.3477000     -0.7992000      -2.218600    
 H    2.506500      -1.885900      -1.627900    
 H    2.528500      0.5601000      -2.136000    
 H    3.779100      0.1920000     -0.9369000    
 H    4.766400      -1.489100       2.544800    
 H    3.369000     -0.3968000       2.467000    
 H    3.138800      -2.145400       2.814800    
 H    2.243400       4.262200      0.7389000    
 H    1.991400       2.835800       1.765400    
 H   0.7799000       3.280900      0.5146000    


%chk=000113724-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113724

0 1
O 0.055929 -0.298481 0.033545
O 2.679580 -1.346345 0.615421
O 2.479952 1.490575 -0.324291
O 4.768555 -2.028653 -0.172095
O 0.800742 2.097909 -1.832378
C -3.465281 1.150339 0.500548
C -4.214019 -0.213605 0.595008
C -3.677968 -1.295444 -0.375261
C -1.935149 0.899734 0.656305
C -1.383333 -0.160996 -0.307750
C -2.153386 -1.491802 -0.166292
C -3.939091 2.069784 1.655512
C -3.774278 1.857513 -0.847976
C -4.436775 -2.629395 -0.200877
C 0.772361 -1.170986 -0.892192
C 2.286252 -0.991442 -0.781334
C 2.873431 0.365826 -1.197812
C 3.975228 -1.849623 0.782478
C 1.400867 2.275120 -0.748078
C 4.258489 -2.107624 2.244396
C 1.114530 3.343873 0.280998
H -4.118453 -0.600245 1.632873
H -5.296368 -0.052711 0.413526
H -3.841430 -0.946344 -1.417170
H -1.385969 1.847415 0.504753
H -1.722801 0.555080 1.688843
H -1.445975 0.199772 -1.359526
H -1.780536 -2.241539 -0.891542
H -1.970051 -1.895869 0.851250
H -3.736435 1.608637 2.640860
H -5.026864 2.262272 1.586937
H -3.420264 3.046938 1.624188
H -4.858906 2.056742 -0.940239
H -3.467065 1.259295 -1.723868
H -3.243277 2.826000 -0.908411
H -4.072271 -3.396632 -0.909792
H -4.302508 -3.026106 0.824142
H -5.521759 -2.498138 -0.371814
H 0.533445 -2.235457 -0.686956
H 0.482143 -0.938515 -1.942242
H 2.763929 -1.732319 -1.457836
H 2.561106 0.583074 -2.236672
H 3.971557 0.326018 -1.130440
H 5.067670 -2.846705 2.341993
H 4.583791 -1.165681 2.722936
H 3.351418 -2.451121 2.765505
H 0.326748 4.017639 -0.085774
H 2.029984 3.918813 0.501238
H 0.791803 2.863607 1.220963


