%chk=000169602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169602

0 1
 O   -4.372200      0.7362000     -3.7700001E-02
 O    6.381700      0.1020000       1.219100    
 O   -5.817800     -0.4607000       1.295700    
 N   -6.582100       1.221700     -7.2499998E-02
 C   -1.117800     -0.8942000      0.1627000    
 C   -1.945100      0.3465000     -0.2247000    
 C   0.2975000     -0.8671000     -0.4225000    
 C    1.037100      0.4010000      0.1095000    
 C    2.526100      0.5009000     -0.4019000    
 C   -1.252500       1.581600      0.3645000    
 C   0.2056000       1.694700     -0.1162000    
 C   -3.281900     -2.4100000E-02  0.4458000    
 C   -2.042300      -2.059700     -0.1800000    
 C    1.082200      -2.130500     -4.7899999E-02
 C   -3.450400      -1.524900      0.1383000    
 C    3.238200     -0.8381000     -0.1705000    
 C    2.499800      -2.082900     -0.6033000    
 C   -2.142900      0.5418000      -1.749500    
 C    3.242200       1.629300      0.3963000    
 C    2.598700      0.8311000      -1.910000    
 C    4.757800       1.590100      0.2812000    
 C    4.465800     -0.9537000      0.3635000    
 C    5.280000      0.2389000      0.6913000    
 C   -5.607600      0.4203000      0.4687000    
 H   -1.006400     -0.9091000       1.260200    
 H   0.2343000     -0.8276000      -1.515400    
 H    1.093100      0.2770000       1.203500    
 H   -1.253500       1.527100       1.461000    
 H   -1.799700       2.494700      0.1011000    
 H   0.2100000       1.968400      -1.175800    
 H   0.6656000       2.532500      0.4192000    
 H   -3.203500      0.1229000       1.532300    
 H   -1.812700      -2.952900      0.4101000    
 H   -1.967700      -2.333100      -1.238400    
 H   0.5789000      -3.019700     -0.4451000    
 H    1.116300      -2.245100       1.043400    
 H   -4.128500      -1.710600     -0.7024000    
 H   -3.858400      -2.053000       1.007500    
 H    2.465600      -2.112900      -1.699300    
 H    3.029900      -2.990300     -0.2885000    
 H   -2.681100     -0.2921000      -2.211200    
 H   -2.725000       1.449100      -1.949200    
 H   -1.198100      0.6463000      -2.289400    
 H    2.981300       1.545900       1.460800    
 H    2.895100       2.616500      6.8599999E-02
 H    1.993400      0.1481000      -2.514100    
 H    2.251100       1.848600      -2.117400    
 H    3.625600      0.7626000      -2.287900    
 H    5.187900       2.345900      0.9478000    
 H    5.094900       1.803600     -0.7379000    
 H    4.932400      -1.919900      0.5237000    
 H   -6.358000       1.938100     -0.7549000    
 H   -7.556100       1.121900      0.1929000    


%chk=000169602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169602

0 1
O -4.440825 0.668476 -0.142287
O 6.462706 0.257365 1.305370
O -5.666571 0.176470 1.818257
N -6.524979 1.537616 0.108792
C -1.126470 -0.993056 0.081373
C -1.979483 0.260989 -0.292949
C 0.312851 -0.932584 -0.468985
C 1.012298 0.350835 0.089028
C 2.514683 0.509855 -0.391808
C -1.306308 1.503288 0.332010
C 0.165822 1.637888 -0.142377
C -3.319428 -0.167760 0.356845
C -2.037711 -2.198470 -0.283209
C 1.121567 -2.188402 -0.075964
C -3.489500 -1.675186 -0.002308
C 3.265540 -0.809245 -0.126678
C 2.585822 -2.093116 -0.566489
C -2.166771 0.443303 -1.822760
C 3.176857 1.667566 0.420421
C 2.605677 0.817658 -1.921369
C 4.717278 1.686493 0.345772
C 4.514553 -0.850231 0.441527
C 5.317759 0.345572 0.763225
C -5.565404 0.743490 0.701535
H -1.033948 -0.983188 1.193021
H 0.270275 -0.882668 -1.577938
H 1.068040 0.199263 1.193008
H -1.328939 1.409559 1.438134
H -1.864614 2.424619 0.074965
H 0.175405 1.907534 -1.215298
H 0.629108 2.485933 0.394918
H -3.276214 -0.039047 1.455501
H -1.798624 -3.094640 0.315499
H -1.915313 -2.475695 -1.347572
H 0.650200 -3.095633 -0.499406
H 1.107660 -2.300186 1.027995
H -4.131358 -1.767158 -0.897173
H -3.987192 -2.219248 0.817276
H 2.580793 -2.130089 -1.677337
H 3.172178 -2.965875 -0.225559
H -2.619035 -0.446715 -2.294364
H -2.840726 1.296289 -2.013296
H -1.209959 0.643061 -2.333540
H 2.877530 1.564692 1.483468
H 2.784064 2.639117 0.067973
H 2.090230 0.054161 -2.530002
H 2.154088 1.798418 -2.153807
H 3.659298 0.846975 -2.252097
H 5.144482 2.480263 0.983837
H 5.054874 1.897794 -0.689655
H 5.001626 -1.814185 0.640445
H -6.356472 1.959528 -0.800903
H -7.400620 1.691406 0.600033


