%chk=000043276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043276

0 1
 O    2.509600      -1.275000      -1.485700    
 O  -0.5750000     -0.6780000      0.2375000    
 O  -8.7700002E-02  -1.639400      -1.797600    
 N   -4.665300      0.2916000     -0.2579000    
 C    1.728900     -0.8819000     -0.3489000    
 C    2.152800      -1.787500      0.8569000    
 C    1.925500      0.6254000     -0.1386000    
 C    1.890600      -3.284300      0.6104000    
 C    3.640200      -1.622500       1.210400    
 C   0.2652000      -1.123600     -0.7435000    
 C   -2.760400     -0.2989000       1.162600    
 C   -1.972600     -0.8433000     -2.1299999E-02
 C    1.715900       1.144000       1.116300    
 C    2.302700       1.392600      -1.214100    
 C   -4.263900     -0.4313000      0.9427000    
 C    1.894300       2.514100       1.307300    
 C    2.481400       2.762800      -1.023000    
 C    2.277300       3.323500      0.2378000    
 C   -6.090500      9.2699997E-02 -0.5276000    
 C   -4.368800       1.719100     -0.1238000    
 H    1.561400      -1.529600       1.743300    
 H    2.134200      -3.865400       1.507300    
 H   0.8379000      -3.474800      0.3809000    
 H    2.499700      -3.678900     -0.2088000    
 H    4.285600      -1.913900      0.3749000    
 H    3.902700      -2.253500       2.067000    
 H    3.886500     -0.5931000       1.484100    
 H   -2.450400      0.7251000       1.399000    
 H   -2.484900     -0.8761000       2.055400    
 H   -2.189000      -1.909300     -0.1596000    
 H   -2.215600     -0.3047000     -0.9434000    
 H    2.285500      -2.191600      -1.716600    
 H    1.398400      0.5505000       1.965000    
 H    2.452200      0.9881000      -2.209500    
 H   -4.507700      -1.496200      0.8367000    
 H   -4.797000     -6.7100003E-02   1.830400    
 H    1.730400       2.952100       2.287700    
 H    2.775200       3.394000      -1.856600    
 H    2.414400       4.390600      0.3861000    
 H   -6.311700     -0.9720000     -0.6627000    
 H   -6.721900      0.4769000      0.2819000    
 H   -6.380200      0.5919000      -1.458900    
 H   -4.782400       2.273900     -0.9748000    
 H   -4.793300       2.149600      0.7907000    
 H   -3.294200       1.923000     -0.1497000    


%chk=000043276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043276

0 1
O 2.545975 -1.405909 -1.518612
O -0.587957 -0.759081 0.252773
O -0.084482 -1.360354 -1.935610
N -4.829824 0.236804 -0.123220
C 1.776108 -0.870497 -0.395670
C 2.120019 -1.717939 0.880767
C 2.093314 0.632777 -0.198346
C 1.704918 -3.195049 0.698227
C 3.627038 -1.608073 1.203409
C 0.280606 -1.022619 -0.779100
C -2.796589 -0.452782 1.211922
C -2.054184 -0.834669 -0.067422
C 1.498791 1.380011 0.851476
C 3.012449 1.272286 -1.063849
C -4.326343 -0.556481 1.024392
C 1.820465 2.743595 1.028119
C 3.331249 2.637956 -0.887393
C 2.737445 3.379753 0.158777
C -6.213874 -0.133879 -0.484868
C -4.685776 1.694972 0.067776
H 1.537269 -1.282891 1.716038
H 1.956953 -3.774626 1.604748
H 0.618270 -3.306195 0.522433
H 2.243560 -3.638984 -0.157195
H 4.224620 -1.978158 0.352050
H 3.869157 -2.218147 2.092962
H 3.928023 -0.565780 1.408637
H -2.502545 0.568128 1.517875
H -2.495855 -1.130803 2.032794
H -2.283599 -1.864872 -0.395934
H -2.272625 -0.149286 -0.902374
H 1.902373 -1.560259 -2.266775
H 0.775554 0.902114 1.520394
H 3.475621 0.680241 -1.858080
H -4.593649 -1.614798 0.836441
H -4.825426 -0.262617 1.984951
H 1.354573 3.310026 1.842803
H 4.045898 3.119727 -1.564571
H 2.985213 4.438466 0.296278
H -6.264748 -1.214535 -0.707872
H -6.958907 0.089791 0.320892
H -6.519668 0.416266 -1.392452
H -5.052988 2.219814 -0.831634
H -5.255877 2.079420 0.952039
H -3.624547 1.966731 0.201704


