%chk=000064514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064514

0 1
 O   -1.920600       2.069800     -3.7900001E-02
 O   -4.447200      -1.775100      4.6000000E-02
 N  -0.9072000      1.9400001E-02 -0.2740000    
 N   -3.250600      0.1726000      1.5400000E-02
 N   -3.305600      -1.315400     -6.4999998E-02
 C    1.130800      0.7462000      0.9560000    
 C    1.311600     -0.3095000      -1.329900    
 C    3.365500      0.6512000     -0.2172000    
 C    2.323400      -1.462500      0.6766000    
 C   0.4259000      0.5550000     -0.4054000    
 C    2.464600       1.480300      0.7164000    
 C    1.428500     -0.6214000       1.602500    
 C    2.644600      0.4291000      -1.559500    
 C    1.608200      -1.670500     -0.6690000    
 C    3.645300     -0.7135000      0.4352000    
 C   -2.020500      0.8398000     -9.4099998E-02
 C   -4.496700      0.9045000      0.2041000    
 H   0.5026000       1.338700       1.631500    
 H   0.8107000     -0.4724000      -2.291500    
 H    4.309400       1.180700     -0.3871000    
 H    2.528800      -2.433400       1.141100    
 H   0.3204000       1.542900     -0.8743000    
 H    2.974200       1.651800       1.672600    
 H    2.276300       2.467100      0.2759000    
 H   0.4939000      -1.156700       1.808800    
 H    1.926100     -0.4750000       2.569200    
 H    2.460400       1.393100      -2.049500    
 H    3.283300     -0.1530000      -2.235300    
 H    2.240500      -2.272500      -1.334000    
 H   0.6863000      -2.243600     -0.5205000    
 H    4.301700      -1.310000     -0.2102000    
 H    4.175300     -0.5731000       1.385300    
 H   -1.010800     -0.9869000     -0.2299000    
 H   -4.320600       1.982600      0.2468000    
 H   -4.959300      0.5878000       1.143700    
 H   -5.167100      0.6921000     -0.6341000    


%chk=000064514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064514

0 1
O -1.995269 2.118849 0.042615
O -4.300156 -1.866133 0.043164
N -0.910332 0.075990 -0.361049
N -3.249460 0.118341 0.035801
N -3.176555 -1.263585 -0.088230
C 1.136911 0.812457 0.916833
C 1.339268 -0.282463 -1.370030
C 3.411003 0.615686 -0.195520
C 2.248278 -1.461646 0.692208
C 0.454106 0.631268 -0.475494
C 2.510047 1.505808 0.702652
C 1.347733 -0.569638 1.591198
C 2.715344 0.412647 -1.569524
C 1.563904 -1.662609 -0.688496
C 3.621412 -0.764502 0.486476
C -1.991851 0.863794 -0.092057
C -4.517782 0.814903 0.302139
H 0.487667 1.451805 1.544793
H 0.842378 -0.419115 -2.350879
H 4.390343 1.110208 -0.348034
H 2.399347 -2.446145 1.176622
H 0.354903 1.627869 -0.947338
H 2.996852 1.675510 1.683404
H 2.366499 2.500343 0.234493
H 0.372612 -1.064787 1.770459
H 1.822029 -0.429073 2.582430
H 2.579364 1.388898 -2.076331
H 3.350134 -0.211788 -2.229113
H 2.201757 -2.290512 -1.341391
H 0.611671 -2.219208 -0.564322
H 4.280437 -1.400290 -0.138551
H 4.127740 -0.630385 1.463335
H -1.071104 -0.934084 -0.426345
H -4.294208 1.889359 0.358935
H -4.953614 0.455672 1.250508
H -5.239305 0.606757 -0.506660


