%chk=000044328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044328

0 1
 O   -5.357600     -0.4769000      -2.326900    
 O   -3.205300     -0.7313000      -1.952100    
 N    2.751900      -1.555900     -3.8000001E-03
 N   -4.321200     -0.2407000      -1.664900    
 C    1.370000      0.3676000      0.3411000    
 C    2.620100     -0.2105000      5.4699998E-02
 C   0.2774000     -0.4780000      0.5617000    
 C    3.721500      0.6458000     -0.1674000    
 C   0.4246000      -1.865600      0.4993000    
 C    3.563600       2.054500     -0.1016000    
 C    1.699900      -2.369400      0.2088000    
 C    1.220700       1.758400      0.4043000    
 C    2.308500       2.594600      0.1848000    
 C   -1.043400      9.2799999E-02  0.8626000    
 C    5.007700      0.1439000     -0.4599000    
 C  -0.6555000      -2.739000      0.7168000    
 C    4.664700       2.898300     -0.3236000    
 C    1.859500      -3.751100      0.1436000    
 C    6.093300      0.9949000     -0.6783000    
 C  -0.4710000      -4.116500      0.6465000    
 C   -1.980400      0.3796000     -5.8899999E-02
 C    5.921700       2.371200     -0.6102000    
 C   0.7897000      -4.623500      0.3591000    
 C   -3.311900      0.9338000      0.2439000    
 C   -4.415200      0.6238000     -0.5374000    
 C   -3.424400       1.779500       1.338700    
 C   -5.658000       1.170900     -0.2182000    
 C   -4.667100       2.326600       1.658000    
 C   -5.783800       2.022300      0.8794000    
 H   0.2711000       2.237200      0.6281000    
 H    2.163700       3.671300      0.2416000    
 H   -1.263100      0.1528000       1.926300    
 H    5.185300     -0.9282000     -0.5226000    
 H   -1.656100      -2.384700      0.9491000    
 H    4.551800       3.979700     -0.2749000    
 H    2.838200      -4.172200     -7.9999998E-02
 H    7.071400      0.5789000     -0.9015000    
 H   -1.638100      0.3850000      -1.089200    
 H   -1.305700      -4.789800      0.8160000    
 H    6.764300       3.034800     -0.7797000    
 H   0.9454000      -5.696800      0.3019000    
 H   -2.573900       2.055800       1.955800    
 H   -6.553100      0.9605000     -0.7980000    
 H   -4.764900       2.993300       2.509800    
 H   -6.751000       2.449700       1.127800    


%chk=000044328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044328

0 1
O -6.140723 -1.591666 -0.719235
O -4.006968 -2.051425 -0.081481
N 2.847765 -1.453620 -0.227725
N -4.986902 -1.224613 -0.268327
C 1.433897 0.510760 0.265970
C 2.719208 -0.121383 0.007359
C 0.253826 -0.301106 0.303141
C 3.940541 0.694572 -0.022258
C 0.392499 -1.723951 0.107753
C 3.850210 2.113338 0.181632
C 1.724118 -2.243944 -0.181429
C 1.399317 1.950810 0.433638
C 2.550408 2.713066 0.399702
C -1.046764 0.345207 0.575070
C 5.216089 0.104558 -0.248708
C -0.686695 -2.667939 0.226601
C 5.039175 2.902379 0.155220
C 1.903059 -3.649635 -0.413965
C 6.374947 0.896699 -0.269807
C -0.475840 -4.029542 0.009380
C -2.238337 0.063538 -0.039055
C 6.288033 2.303867 -0.066480
C 0.824734 -4.526960 -0.331331
C -3.498510 0.777253 0.248752
C -4.799936 0.205702 0.080382
C -3.470198 2.147814 0.646567
C -5.988956 0.946887 0.281836
C -4.643597 2.888373 0.875531
C -5.914205 2.289775 0.687581
H 0.434833 2.449399 0.570594
H 2.494063 3.800306 0.532050
H -1.036073 1.119192 1.355739
H 5.257850 -0.977148 -0.403151
H -1.685070 -2.326524 0.507671
H 4.963418 3.985197 0.310644
H 2.917104 -3.991653 -0.641854
H 7.351765 0.432142 -0.443307
H -2.272846 -0.716279 -0.804578
H -1.315192 -4.726328 0.107231
H 7.196713 2.915632 -0.084557
H 0.968106 -5.598779 -0.506521
H -2.498778 2.644046 0.734452
H -6.948453 0.447357 0.126313
H -4.571739 3.937895 1.179849
H -6.830599 2.864131 0.853711


