%chk=000146074.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146074

0 1
 O   0.6753000       1.089600       1.184000    
 O    3.181300       1.701700       2.299900    
 O   -4.165300      0.3548000      -1.366400    
 O   -2.831000       2.743900      -1.548700    
 N    3.259500      3.2499999E-02  -1.003700    
 C    2.998800       1.616800      0.8836000    
 C    3.356600      0.1963000      0.4404000    
 C    3.659000      -1.309800      -1.404000    
 C    1.560800       2.008900      0.5514000    
 C  -0.5238000      0.8644000      0.5700000    
 C   -1.182600     -0.3706000      0.6832000    
 C    3.541000      -1.467800      -2.917300    
 C    2.794600      -2.335000     -0.6769000    
 C   -2.423500     -0.5558000      2.8300000E-02
 C   -1.080500       1.902200     -0.1782000    
 C   -2.969000      0.4997000     -0.7206000    
 C  -0.6371000      -1.426000       1.432100    
 C   -2.300700       1.720100     -0.8222000    
 C   -3.082200      -1.790900      0.1416000    
 C   -1.305400      -2.646500       1.533800    
 C   -2.525600      -2.828600      0.8898000    
 H    3.687600       2.337500      0.4283000    
 H    2.696900     -0.4866000      0.9851000    
 H    4.376200     -2.5100000E-02  0.7827000    
 H    4.709800      -1.480500      -1.136800    
 H    1.447900       2.019000     -0.5398000    
 H    1.357800       3.009200      0.9522000    
 H    3.847000      0.7225000      -1.470800    
 H    3.862700      -2.467100      -3.229800    
 H    2.508200      -1.325600      -3.255300    
 H    4.171100     -0.7388000      -3.438700    
 H    3.067900      -2.447100      0.3771000    
 H    2.926800      -3.326600      -1.126100    
 H    1.727500      -2.093800     -0.7448000    
 H  -0.6138000       2.880000     -0.2558000    
 H    2.539400       1.102100       2.717800    
 H   0.3150000      -1.317100       1.946900    
 H   -4.027700      -1.995300     -0.3526000    
 H  -0.8718000      -3.455200       2.114900    
 H   -3.042900      -3.780600      0.9665000    
 H   -4.735300     -0.2619000     -0.8810000    
 H   -3.677100       2.445400      -1.925000    


%chk=000146074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146074

0 1
O 0.695115 0.570353 0.775754
O 2.788223 1.465880 2.401454
O -4.668021 0.367494 -0.995891
O -2.987964 2.268303 -1.948322
N 3.976715 0.096411 -0.916942
C 2.941902 1.395149 0.940243
C 3.613002 0.064814 0.516537
C 4.088938 -1.219505 -1.610437
C 1.597304 1.614404 0.239573
C -0.628605 0.541620 0.313757
C -1.455451 -0.500340 0.876252
C 4.880801 -1.019765 -2.918420
C 2.686745 -1.799297 -1.900089
C -2.836918 -0.601928 0.447931
C -1.137825 1.441242 -0.627144
C -3.338409 0.356595 -0.486256
C -0.952234 -1.437778 1.830912
C -2.501676 1.343570 -1.020711
C -3.647467 -1.658830 0.982061
C -1.770651 -2.446272 2.349626
C -3.127578 -2.558887 1.916022
H 3.608154 2.240397 0.685991
H 2.895929 -0.759024 0.682277
H 4.477271 -0.108309 1.196681
H 4.646220 -1.955207 -0.977783
H 1.718459 1.489186 -0.852846
H 1.182845 2.611332 0.484148
H 4.818053 0.667813 -1.075929
H 4.956621 -1.968691 -3.477975
H 4.372195 -0.276839 -3.560400
H 5.909119 -0.661424 -2.717654
H 2.081788 -1.895365 -0.980372
H 2.768330 -2.803482 -2.356078
H 2.141444 -1.135307 -2.595027
H -0.535885 2.233313 -1.076702
H 2.000654 0.909437 2.638350
H 0.092234 -1.352542 2.143761
H -4.680929 -1.786619 0.636378
H -1.372564 -3.157528 3.080886
H -3.758793 -3.362786 2.310228
H -5.315446 0.036400 -0.327751
H -3.948247 2.066312 -2.110993


