%chk=000158588.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158588

0 1
 O  -2.7700000E-02 -0.8858000     -0.7403000    
 O   -1.073200       1.185000      -1.045400    
 O   -3.633100      -2.847100     -0.1122000    
 O    1.524500      0.7755000     -0.2163000    
 O    1.924800      -2.856000     -0.1800000    
 O    4.659600      -1.847800     -0.6103000    
 O    5.046200      0.6558000      0.7819000    
 O    1.760200       3.321800      0.7924000    
 C   -2.444100     -0.7933000     -0.5017000    
 C   -3.618300      0.1043000     -8.0700003E-02
 C   -2.598700      -2.014100      0.4063000    
 C   -3.777200     -0.1338000       1.429000    
 C   -3.037100      -1.438000       1.749500    
 C   -1.109300     -5.3300001E-02 -0.3223000    
 C   -3.393900       1.543200     -0.4544000    
 C    1.165400     -0.5894000     -1.5200000E-02
 C    2.269300      -1.514900     -0.5268000    
 C   -2.202000       1.950600     -0.9183000    
 C    3.621900      -1.162100      9.2100002E-02
 C    3.899000      0.3384000     -1.8000000E-03
 C    2.701000       1.144700      0.5053000    
 C   -4.564400       2.472600     -0.3437000    
 C    2.907100       2.643800      0.3129000    
 H   -2.555700      -1.074600      -1.557600    
 H   -4.522900     -0.2564000     -0.5900000    
 H   -1.690600      -2.617500      0.4967000    
 H   -4.838600     -0.2170000       1.690000    
 H   -3.364000      0.6856000       2.029100    
 H   -2.160900      -1.210000       2.367300    
 H   -3.678600      -2.125500       2.310200    
 H  -0.9830000      0.1926000      0.7420000    
 H   0.9780000     -0.7802000       1.050700    
 H    2.336000      -1.473100      -1.621100    
 H    3.668600      -1.509600       1.131600    
 H   -2.007900       2.954800      -1.270500    
 H    4.128900      0.6021000      -1.041600    
 H    2.525500      0.9609000       1.574100    
 H   -3.335200      -3.176800     -0.9771000    
 H   -4.908700       2.532500      0.6936000    
 H   -5.392700       2.117300     -0.9651000    
 H   -4.314300       3.487600     -0.6701000    
 H    3.027900       2.899300     -0.7451000    
 H    3.778300       3.007300      0.8653000    
 H    1.053800      -3.043000     -0.5702000    
 H    5.504800      -1.593500     -0.2017000    
 H    4.849200      0.4311000       1.707300    
 H   0.9921000       2.986500      0.2989000    


%chk=000158588-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158588

0 1
O -0.013695 -0.619424 -0.412207
O -1.093904 1.470496 -0.149671
O -3.556642 -2.696363 -1.240417
O 1.812653 0.847775 -0.599714
O 1.632372 -2.451778 1.155573
O 4.462595 -2.189834 0.415366
O 5.398767 0.578279 0.562547
O 2.333991 3.566611 -0.710439
C -2.419662 -0.583707 -0.607647
C -3.716292 0.116594 -0.108556
C -2.647943 -2.073988 -0.255370
C -4.121634 -0.673757 1.188013
C -3.413045 -2.063876 1.087658
C -1.204631 0.017010 0.104524
C -3.545053 1.614330 0.074648
C 1.227521 -0.227040 0.205273
C 2.157119 -1.462428 0.213011
C -2.309151 2.180533 0.018107
C 3.564789 -1.070658 0.684821
C 4.094274 0.202473 -0.023289
C 3.066272 1.346351 0.018783
C -4.783720 2.457853 0.285784
C 3.418111 2.590815 -0.802904
H -2.258134 -0.437127 -1.691887
H -4.499749 -0.061560 -0.871082
H -1.696324 -2.641566 -0.212657
H -5.216901 -0.782988 1.259637
H -3.787280 -0.124081 2.087164
H -2.712127 -2.217362 1.927891
H -4.127583 -2.903474 1.093417
H -1.252727 -0.109748 1.210209
H 1.052015 0.134569 1.245983
H 2.216173 -1.860773 -0.820084
H 3.511478 -0.864249 1.781526
H -2.115691 3.254701 0.083712
H 4.340071 -0.042905 -1.071054
H 2.857221 1.649017 1.072921
H -3.117291 -2.691248 -2.129031
H -5.324111 2.156255 1.205006
H -5.494760 2.339310 -0.555709
H -4.541576 3.531540 0.376782
H 3.604998 2.289309 -1.855500
H 4.319417 3.081590 -0.403234
H 0.857675 -2.900806 0.732439
H 5.386896 -1.870197 0.591327
H 5.255035 0.899533 1.491367
H 1.490182 3.076491 -0.906336


