%chk=000043615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043615

0 1
 O   -2.338400      -2.343700     -7.3299997E-02
 O   -2.014900       2.273500      0.2797000    
 O    4.411600      -1.166400       1.565700    
 N   -1.670100     -7.3799998E-02  0.1459000    
 N    4.787800      0.1485000     -0.3303000    
 C   -3.885800     -0.5684000     -0.1058000    
 C   -3.796300      0.7529000      3.2699998E-02
 C   -5.156200      -1.318600     -0.2745000    
 C   -4.949000       1.688500     -2.7000001E-03
 C   -6.370500     -0.4293000      4.1000001E-02
 C   -6.214300      0.9889000     -0.5265000    
 C   -2.535900      -1.140700     -2.5599999E-02
 C   -2.381100       1.113600      0.1849000    
 C  -0.2468000     -0.1827000      0.2651000    
 C   0.4333000      -1.223100     -0.3730000    
 C   0.4683000      0.7514000       1.019000    
 C    2.529900     -0.3947000      0.4955000    
 C    1.819300      -1.328900     -0.2579000    
 C    1.854400      0.6455000       1.134000    
 C    3.975200     -0.5041000      0.6148000    
 C    6.241700      9.8899998E-02 -0.2684000    
 C    4.227400      0.9198000      -1.437600    
 C    6.801100       1.237700      0.5591000    
 C    4.009400      5.5100001E-02  -2.662000    
 H   -5.223200      -1.675400      -1.309100    
 H   -5.175600      -2.198800      0.3775000    
 H   -5.132200       2.064600       1.010800    
 H   -4.726500       2.553000     -0.6378000    
 H   -7.278500     -0.8942000     -0.3594000    
 H   -6.500500     -0.3651000       1.129100    
 H   -7.095500       1.590600     -0.2765000    
 H   -6.170200      0.9313000      -1.621900    
 H  -8.3400004E-02  -1.952700     -0.9888000    
 H  -2.6699999E-02   1.557200       1.552100    
 H    2.333700      -2.146800     -0.7557000    
 H    2.398100       1.375600       1.728200    
 H    6.536900     -0.8500000      0.1936000    
 H    6.655100      0.1115000      -1.282500    
 H    3.280400       1.381600      -1.146300    
 H    4.908700       1.744600      -1.676600    
 H    6.539100       2.208900      0.1272000    
 H    6.408800       1.212500       1.581300    
 H    7.892200       1.171300      0.6108000    
 H    4.955200     -0.3678000      -3.017000    
 H    3.332500     -0.7794000      -2.472100    
 H    3.585200      0.6534000      -3.474600    


%chk=000043615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043615

0 1
O -2.201653 -2.095784 -0.715912
O -2.277469 2.318680 0.974795
O 4.411948 -0.055082 1.920591
N -1.790430 0.104635 0.167507
N 4.848228 0.045184 -0.361614
C -4.032868 -0.509729 -0.237582
C -4.056008 0.761033 0.259614
C -5.246271 -1.305903 -0.620591
C -5.297230 1.576120 0.478367
C -6.521978 -0.624539 -0.054657
C -6.496350 0.914854 -0.254346
C -2.609802 -0.977721 -0.317759
C -2.648736 1.205030 0.531636
C -0.358184 0.090100 0.274409
C 0.416588 -0.686841 -0.623905
C 0.289467 0.841251 1.290371
C 2.481689 0.068415 0.482580
C 1.820706 -0.694762 -0.512389
C 1.692095 0.819723 1.389725
C 3.970875 0.021933 0.723811
C 6.296486 -0.082616 -0.051208
C 4.501201 0.494120 -1.730606
C 6.950230 1.260944 0.339323
C 4.685318 -0.589626 -2.815203
H -5.303275 -1.380987 -1.726094
H -5.151024 -2.346851 -0.257853
H -5.499988 1.651246 1.566582
H -5.138693 2.615738 0.134449
H -7.418039 -1.052960 -0.539672
H -6.602734 -0.847424 1.027756
H -7.442316 1.357655 0.107305
H -6.428349 1.138251 -1.337551
H -0.073371 -1.299335 -1.383007
H -0.298287 1.438919 1.989498
H 2.398790 -1.327405 -1.193241
H 2.195469 1.368940 2.191424
H 6.393836 -0.791962 0.787238
H 6.796846 -0.517431 -0.935840
H 3.460849 0.856128 -1.729302
H 5.140147 1.366584 -1.979127
H 6.853094 2.014138 -0.464434
H 6.480245 1.655203 1.255480
H 8.028191 1.115888 0.537198
H 5.731166 -0.940906 -2.868086
H 4.044806 -1.467735 -2.621111
H 4.418486 -0.179315 -3.806470


