%chk=000142137.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142137

0 1
 O    5.235100       1.133400      0.3057000    
 O   -7.216700      0.2392000     -0.5088000    
 O   -7.058100      -1.979000      8.5500002E-02
 N   -1.096700      0.2884000      0.9095000    
 C    8.406200     -0.6268000     -0.6752000    
 C    7.438900      0.2083000      0.1607000    
 C    9.743600     -0.8119000      4.1099999E-02
 C    6.089800      0.3621000     -0.5270000    
 C    10.69750      -1.671300     -0.7732000    
 C    3.890100      0.8869000      0.2091000    
 C    3.346400      0.4476000     -0.9981000    
 C    3.064900       1.077400       1.317400    
 C    1.152300      0.3892000      1.1500000E-02
 C    1.977600      0.1988000      -1.096800    
 C    1.696000      0.8285000       1.218700    
 C  -0.2750000      0.1303000     -9.1899998E-02
 C   -2.450200      8.9999998E-04  0.6649000    
 C   -5.137500     -0.5693000      0.1796000    
 C   -2.938600      -1.288700      0.8752000    
 C   -3.305400       1.005300      0.2119000    
 C   -4.282200      -1.573800      0.6326000    
 C   -4.649200      0.7202000     -3.0800000E-02
 C   -6.538500     -0.8664000     -7.3200002E-02
 C   -8.610400      7.3700003E-02 -0.7916000    
 C   -9.179800       1.397000      -1.256600    
 H    8.570700     -0.1403000      -1.644300    
 H    7.962100      -1.609000     -0.8783000    
 H    7.864300       1.200600      0.3559000    
 H    7.292100     -0.2537000       1.145200    
 H    9.581600      -1.283400       1.017400    
 H    10.20540      0.1651000      0.2251000    
 H    5.685500     -0.6437000     -0.7007000    
 H    6.214000      0.8752000      -1.487600    
 H    10.27850      -2.667800     -0.9451000    
 H    10.90540      -1.213100      -1.745400    
 H    11.64780      -1.789300     -0.2431000    
 H    3.948700      0.3137000      -1.891700    
 H    3.483300       1.419600       2.260000    
 H    1.567100     -0.1372000      -2.045600    
 H    1.077500      0.9858000       2.098200    
 H  -0.6501000     -0.2144000      -1.074200    
 H   -2.279800      -2.077700       1.228600    
 H   -2.933700       2.013200      4.5800000E-02
 H   -4.642300      -2.585000      0.8031000    
 H   -5.277800       1.533400     -0.3825000    
 H   -9.128800     -0.2558000      0.1155000    
 H   -8.735000     -0.6808000      -1.576200    
 H   -10.24600       1.306600      -1.482100    
 H   -8.657100       1.747700      -2.152700    
 H   -9.044300       2.165800     -0.4887000    


%chk=000142137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000142137

0 1
O 5.244742 -0.353382 0.818647
O -7.374818 0.691119 -0.701844
O -7.750679 -0.907755 0.954346
N -1.246420 -0.485902 0.933456
C 8.703953 -0.138348 -0.783928
C 7.608547 -0.263115 0.300272
C 10.132139 -0.140587 -0.191751
C 6.204157 -0.276369 -0.304928
C 11.227205 -0.002520 -1.270878
C 3.880952 -0.370107 0.523180
C 3.340616 -0.336662 -0.789279
C 3.014970 -0.425373 1.651890
C 1.064320 -0.410626 0.158290
C 1.941756 -0.358848 -0.957011
C 1.627850 -0.444303 1.470080
C -0.385036 -0.424446 -0.056217
C -2.639342 -0.396660 0.711592
C -5.465220 -0.250926 0.402362
C -3.498478 -1.187733 1.528276
C -3.220947 0.495075 -0.241046
C -4.890714 -1.124841 1.365910
C -4.616642 0.565063 -0.391692
C -6.945792 -0.215996 0.277986
C -8.851520 0.784142 -0.893396
C -9.088770 1.811915 -1.995441
H 8.552567 0.797325 -1.361914
H 8.611386 -0.973405 -1.509811
H 7.683044 0.581558 1.011662
H 7.757875 -1.190882 0.884914
H 10.287779 -1.078336 0.379026
H 10.223830 0.687873 0.539516
H 6.063288 -1.153711 -0.969910
H 6.011864 0.648387 -0.887945
H 11.176073 -0.834979 -1.997909
H 11.112427 0.942701 -1.834269
H 12.237618 -0.007658 -0.822999
H 3.990274 -0.295173 -1.667714
H 3.463165 -0.451519 2.649736
H 1.522726 -0.334872 -1.971020
H 0.945343 -0.486038 2.324674
H -0.716885 -0.404705 -1.117194
H -3.042941 -1.845784 2.274418
H -2.572368 1.151886 -0.831894
H -5.559790 -1.737768 1.978611
H -5.065998 1.250392 -1.115844
H -9.310292 1.079384 0.067836
H -9.233221 -0.218502 -1.159235
H -10.173442 1.920646 -2.178557
H -8.607400 1.497944 -2.937551
H -8.684552 2.797922 -1.708705


