%chk=000178056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178056

0 1
 O  -0.4122000      0.1408000       1.683000    
 O    1.397100     -0.2613000       3.032500    
 N    5.035500      0.7902000     -0.6824000    
 C  -0.7164000      0.1159000      0.2583000    
 C    1.626600     -0.2811000      0.6099000    
 C   0.6704000      0.4419000     -0.3243000    
 C    3.011600      0.3375000      0.6274000    
 C   0.9075000     -0.1356000       1.921500    
 C   -1.765800       1.187100     -3.7599999E-02
 C   -1.248800      -1.268600     -0.1346000    
 C    3.699400      0.2083000     -0.7308000    
 C   -2.703300       1.539100      0.9366000    
 C   -1.035600      -1.759400      -1.423600    
 C   -1.792300       1.818300      -1.283500    
 C   -1.947200      -2.038700      0.7962000    
 C   -3.661400       2.516300      0.6665000    
 C   -1.520100      -3.017700      -1.781000    
 C   -2.750200       2.795600      -1.553600    
 C   -2.431600      -3.297100      0.4389000    
 C    5.710800      0.6386000      -1.972500    
 C    5.828900      0.1720000      0.3813000    
 C   -3.684800       3.144500     -0.5787000    
 C   -2.218000      -3.786500     -0.8497000    
 H    1.675600      -1.350100      0.3707000    
 H   0.8560000       1.523900     -0.2485000    
 H   0.8226000      0.1769000      -1.372700    
 H    3.569000     -0.1873000       1.411100    
 H    2.960600       1.391000      0.9330000    
 H    3.112800      0.7386000      -1.489700    
 H    3.737400     -0.8486000      -1.026500    
 H   -2.714600       1.059000       1.911300    
 H  -0.5249000      -1.180600      -2.185600    
 H   -1.083200       1.557500      -2.063900    
 H   -2.135000      -1.677500       1.803400    
 H   -4.390800       2.786400       1.424600    
 H   -1.360200      -3.396200      -2.786300    
 H   -2.770400       3.283000      -2.524000    
 H   -2.977200      -3.894900       1.163100    
 H    5.132100       1.120100      -2.768700    
 H    5.858800     -0.4137000      -2.241000    
 H    6.689000       1.132200      -1.956100    
 H    6.879800      0.4763000      0.2978000    
 H    5.800600     -0.9232000      0.3464000    
 H    5.521100      0.5164000       1.373500    
 H   -4.431500       3.904500     -0.7896000    
 H   -2.597000      -4.765300      -1.128600    


%chk=000178056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178056

0 1
O -0.497951 0.212642 1.696861
O 1.321328 -0.111571 3.098721
N 5.192895 0.648932 -0.633145
C -0.768806 0.175173 0.210712
C 1.614735 -0.196440 0.608930
C 0.639171 0.439991 -0.407233
C 3.038102 0.396629 0.657917
C 0.872487 -0.042275 1.944075
C -1.819006 1.249437 -0.081899
C -1.298577 -1.231313 -0.149290
C 3.864688 -0.002854 -0.581487
C -2.876138 1.462854 0.838230
C -1.560039 -1.547775 -1.507401
C -1.786463 2.000735 -1.281808
C -1.548371 -2.208649 0.843834
C -3.879444 2.415749 0.563072
C -2.045702 -2.822449 -1.867700
C -2.796429 2.949728 -1.560856
C -2.036992 -3.485710 0.481973
C 5.832125 0.481838 -1.954729
C 6.093981 0.235887 0.463201
C -3.846654 3.160121 -0.639716
C -2.284665 -3.799520 -0.872515
H 1.687163 -1.289405 0.420316
H 0.824510 1.528720 -0.461183
H 0.729443 0.011991 -1.417797
H 3.521191 0.040280 1.586245
H 2.989404 1.500412 0.718684
H 3.316522 0.301547 -1.494892
H 3.949539 -1.124286 -0.614207
H -2.895082 0.893892 1.772730
H -1.402594 -0.792517 -2.286931
H -0.973509 1.857833 -2.003122
H -1.369697 -1.966688 1.895645
H -4.686642 2.578825 1.285819
H -2.244125 -3.051252 -2.920839
H -2.759311 3.525188 -2.492631
H -2.225227 -4.232633 1.261337
H 5.169514 0.881420 -2.743479
H 6.064709 -0.585202 -2.205663
H 6.778356 1.051004 -1.984254
H 7.054321 0.772905 0.368073
H 6.309409 -0.863836 0.462553
H 5.660193 0.500438 1.441637
H -4.627951 3.897872 -0.853706
H -2.663713 -4.789164 -1.150580


