%chk=000132862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132862

0 1
 O    3.307300     -0.6190000       1.750600    
 O    3.784100      -1.455900     -0.3018000    
 N   -1.850100     -0.4142000     -0.3973000    
 N    3.245900      0.8946000      -1.548100    
 N   -3.851900      -1.418600     -0.8165000    
 N   -3.781200      0.5823000      0.5011000    
 C    1.555600       1.193300      0.2415000    
 C   0.5209000      0.1928000     -0.2985000    
 C    3.013100      0.8524000     -0.1048000    
 C  -0.9050000      0.5456000      0.1222000    
 C    3.410300     -0.5238000      0.3984000    
 C   -3.219200     -0.3623000     -0.1943000    
 C   -5.229900      0.5329000      0.6474000    
 H    1.317700       2.195800     -0.1372000    
 H    1.452800       1.246300       1.333000    
 H   0.7546000     -0.8182000      5.6600001E-02
 H   0.5666000      0.1591000      -1.393400    
 H    3.685100       1.580300      0.3636000    
 H  -0.9701000      0.5667000       1.216100    
 H   -1.158500       1.546100     -0.2470000    
 H   -1.475300      -1.180700     -0.9495000    
 H    2.950100       1.798200      -1.915600    
 H    2.672900      0.1972000      -2.020300    
 H    3.563600      -1.508800       2.074500    
 H   -3.325800      -2.109800      -1.340300    
 H   -4.856900      -1.545200     -0.7772000    
 H   -5.734200      0.6089000     -0.3216000    
 H   -5.554900       1.384900       1.252700    
 H   -5.550600     -0.3772000       1.165000    


%chk=000132862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132862

0 1
O 3.817377 -0.553079 1.525276
O 3.691217 -1.325361 -0.660266
N -1.854164 -0.718310 -0.189696
N 3.057118 1.218748 -1.567746
N -3.966650 -1.542946 -0.783186
N -3.740394 0.563003 0.422097
C 1.491168 1.071302 0.459681
C 0.502174 0.046544 -0.133422
C 2.946767 0.978743 -0.128824
C -0.935764 0.287508 0.366019
C 3.521324 -0.401520 0.166606
C -3.242259 -0.511025 -0.149699
C -5.183120 0.832106 0.295609
H 1.127721 2.098834 0.255389
H 1.546741 0.962426 1.560081
H 0.825257 -0.981171 0.137794
H 0.516835 0.101965 -1.239133
H 3.562794 1.708515 0.433770
H -0.964369 0.288933 1.478049
H -1.305372 1.279638 0.053020
H -1.540692 -1.691065 -0.151385
H 2.517940 2.005754 -1.929266
H 3.049878 0.377516 -2.148960
H 4.163247 -1.472812 1.685228
H -3.539010 -2.091550 -1.526402
H -4.978579 -1.560405 -0.697566
H -5.606872 0.611478 -0.713789
H -5.362739 1.901669 0.501425
H -5.780573 0.258261 1.038596


