%chk=000125965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125965

0 1
 O   -1.732800     -0.8029000       1.702800    
 O   -1.064500     -0.8891000     -0.8776000    
 O    1.445500       2.628100      0.6053000    
 O   -4.134300       1.237300      1.2100000E-02
 O   -3.884000      -1.059200      3.5999999E-03
 O   -1.021100      -3.806400     -0.9467000    
 N    3.657000       1.732300     -0.8654000    
 C   0.8318000      0.5383000     -0.4406000    
 C    1.661300       1.213000      0.6435000    
 C   -1.134500      0.4112000       1.216400    
 C  -0.6899000      0.3916000     -0.2468000    
 C    3.112800      0.8076000      0.1403000    
 C    1.215000      0.7988000       2.058700    
 C  -0.2773000       1.109600       2.240700    
 C    1.256900       1.180200      -1.837300    
 C    1.151600     -0.9533000     -0.3341000    
 C   -2.618900      0.3021000       1.498700    
 C    3.492600     -0.6232000      0.6333000    
 C    2.551200       2.140500      -1.800400    
 C    2.339400      -1.546000      0.1606000    
 C   3.2900002E-02  -1.687300     -0.6560000    
 C   -3.604600      5.2800000E-02  0.4309000    
 C    2.380700      -2.935600      0.2124000    
 C    4.417600       2.838200     -0.3195000    
 C   6.8000004E-02  -3.064100     -0.6267000    
 C    1.255800      -3.684600     -0.1981000    
 C   -5.110200       1.140200      -1.030200    
 C   -5.598000       2.529900      -1.380000    
 H   -1.222300       1.190000     -0.7769000    
 H    3.655200       1.253700      0.9943000    
 H    1.781900       1.363100       2.809700    
 H    1.376300     -0.2603000       2.276800    
 H  -0.5726000      0.8133000       3.255300    
 H  -0.4561000       2.189400       2.175200    
 H   0.4312000       1.780600      -2.237500    
 H    1.455400      0.3800000      -2.561400    
 H   -3.004100      0.7940000       2.384800    
 H    3.598100     -0.6946000       1.721800    
 H    4.426900     -0.9421000      0.1592000    
 H    2.963900       2.190600      -2.815000    
 H    2.207900       3.156500      -1.567600    
 H    1.976400       3.030700       1.313000    
 H    3.267000      -3.450300      0.5711000    
 H    5.284000       2.479700      0.2484000    
 H    3.832800       3.503100      0.3221000    
 H    4.824200       3.446500      -1.135700    
 H    1.312000      -4.770300     -0.1480000    
 H  -0.7987000      -4.748400     -0.8503000    
 H   -4.656700      0.6741000      -1.912000    
 H   -5.951500      0.5278000     -0.6870000    
 H   -6.346800       2.492800      -2.176100    
 H   -6.037700       3.016200     -0.5030000    
 H   -4.764200       3.159600      -1.707800    


%chk=000125965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125965

0 1
O -1.426591 -0.876376 1.947883
O -1.261273 -0.391298 -0.788460
O 1.419498 2.968553 0.892848
O -3.893758 0.810704 0.005801
O -4.283456 -1.352762 0.795828
O -1.277281 -3.262933 -1.456997
N 3.400386 1.446937 -0.792716
C 0.696205 0.903845 -0.186741
C 1.564476 1.487920 0.946849
C -1.229218 0.572344 1.513955
C -0.843666 0.804278 0.040821
C 3.040105 1.083863 0.605523
C 1.083718 1.032015 2.343514
C -0.415459 1.381695 2.513067
C 1.011607 1.636193 -1.536049
C 1.011550 -0.589301 -0.280698
C -2.592536 0.069784 1.868359
C 3.283165 -0.448452 0.774778
C 2.438455 2.235290 -1.592318
C 2.196438 -1.249994 0.070195
C -0.139513 -1.258759 -0.718288
C -3.652867 -0.277770 0.843296
C 2.228737 -2.648923 -0.161470
C 4.793926 1.879753 -0.948477
C -0.115904 -2.640408 -0.974347
C 1.103842 -3.320271 -0.701720
C -4.885923 0.571586 -1.091217
C -4.930356 1.842659 -1.931917
H -1.410151 1.660079 -0.358074
H 3.696334 1.625856 1.334093
H 1.688730 1.539726 3.121035
H 1.211027 -0.056007 2.480385
H -0.752059 1.139979 3.537195
H -0.565747 2.464269 2.341494
H 0.289794 2.462568 -1.671324
H 0.859301 0.917138 -2.359718
H -3.009913 0.342008 2.849450
H 3.312295 -0.718769 1.851631
H 4.282040 -0.685174 0.362989
H 2.799268 2.217556 -2.639659
H 2.399283 3.300393 -1.269499
H 2.058601 3.358715 1.543261
H 3.126032 -3.227517 0.086778
H 5.476840 1.166739 -0.450468
H 4.996067 2.897445 -0.524763
H 5.061109 1.902794 -2.021036
H 1.156837 -4.403116 -0.878602
H -1.177809 -4.246883 -1.435748
H -4.542232 -0.307237 -1.664636
H -5.860661 0.330259 -0.629432
H -5.653999 1.717499 -2.758058
H -5.242576 2.710600 -1.325797
H -3.940217 2.056610 -2.369498


