%chk=000044689.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044689

0 1
 O   -4.461600      0.2474000      0.6072000    
 O   -3.797400      -1.851600      0.6925000    
 N  -0.1407000      0.5358000     -2.7700000E-02
 N   -3.670300     -0.6684000      0.3623000    
 C    2.183200       1.390100      0.3856000    
 C    2.919900      0.2877000     -0.4138000    
 C   0.8381000      0.9233000      0.9820000    
 C    2.045100       2.643100     -0.5121000    
 C   -2.454000     -0.3186000     -0.4267000    
 C   -1.366100      5.6000002E-02  0.5951000    
 C    3.214000      -1.014600      0.3401000    
 C    4.020700      -2.023600     -0.4775000    
 C    1.423900       3.841600      0.1915000    
 C   -2.858800      0.8449000      -1.331600    
 C   -2.094500      -1.560600      -1.243900    
 C    4.198400      -3.332500      0.2770000    
 H    2.829300       1.661500       1.232100    
 H    2.344700      4.6399999E-02  -1.317100    
 H    3.876100      0.6979000     -0.7654000    
 H    1.027200      8.1299998E-02   1.658200    
 H   0.4280000       1.722200       1.611700    
 H    3.044200       2.938200     -0.8578000    
 H    1.465500       2.413200      -1.413900    
 H   -1.139900     -0.8166000       1.223100    
 H   -1.754800      0.8326000       1.268900    
 H    2.268400      -1.484600      0.6334000    
 H    3.755500     -0.7809000       1.264900    
 H  -0.3467000       1.335400     -0.6237000    
 H    5.004300      -1.604500     -0.7183000    
 H    3.511100      -2.223800      -1.427200    
 H   0.3671000       3.673300      0.4178000    
 H    1.950000       4.066900       1.124300    
 H    1.483600       4.725200     -0.4523000    
 H   -2.065700       1.071800      -2.053800    
 H   -3.757300      0.6163000      -1.918700    
 H   -3.048000       1.767800     -0.7699000    
 H   -1.268200      -1.342100      -1.930700    
 H   -2.936200      -1.906400      -1.856600    
 H   -1.766600      -2.398200     -0.6165000    
 H    3.230300      -3.793400      0.4980000    
 H    4.781500      -4.038700     -0.3223000    
 H    4.726700      -3.171500       1.222200    


%chk=000044689-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044689

0 1
O -4.656597 -0.637819 -0.563990
O -3.678686 -1.144370 1.428139
N -0.361849 1.173363 0.053505
N -3.622218 -0.796190 0.185499
C 2.110268 1.441971 0.472168
C 2.574908 0.367311 -0.548171
C 0.711652 1.131519 1.070206
C 2.191695 2.861338 -0.162156
C -2.210898 -0.485075 -0.388677
C -1.705347 0.758219 0.450753
C 2.887753 -1.018115 0.061568
C 3.416942 -2.027854 -0.983272
C 1.795579 4.021916 0.777248
C -2.322178 -0.144137 -1.878686
C -1.317920 -1.714050 -0.135166
C 3.723662 -3.415636 -0.380481
H 2.814856 1.428262 1.333237
H 1.795378 0.257827 -1.329390
H 3.487146 0.739078 -1.060182
H 0.724403 0.118384 1.513819
H 0.514887 1.837602 1.911796
H 3.233994 3.017618 -0.505176
H 1.573822 2.895738 -1.084765
H -1.727012 0.467590 1.517831
H -2.444527 1.574485 0.314346
H 1.979846 -1.442902 0.536608
H 3.638670 -0.904994 0.871921
H -0.342038 2.019297 -0.521495
H 4.332680 -1.616257 -1.454869
H 2.670237 -2.133392 -1.797102
H 0.733395 3.970376 1.079870
H 2.405633 4.010626 1.700114
H 1.951658 4.998483 0.283334
H -1.309726 0.106823 -2.239933
H -2.707489 -0.997584 -2.460881
H -2.992056 0.714600 -2.053416
H -0.284871 -1.438524 -0.407860
H -1.631858 -2.570724 -0.757014
H -1.349460 -2.013881 0.925470
H 2.817228 -3.860300 0.072496
H 4.095974 -4.117965 -1.148794
H 4.492463 -3.343357 0.411948


