%chk=000063224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063224

0 1
 O    5.424900       1.277600      0.2918000    
 O   0.8960000       1.342900      -1.283400    
 O  -0.9595000     -0.6689000       1.660700    
 N    2.583300      -1.056500     -0.2258000    
 N   -1.230600       1.312500      0.4601000    
 N   -3.200200       1.648700     -0.8623000    
 C    3.311200      0.2186000     -0.2240000    
 C    4.704400      5.3500000E-02  0.4071000    
 C    5.497100      -1.053100     -0.2886000    
 C    4.688200      -2.341900     -0.3477000    
 C    3.309400      -2.096300     -0.9542000    
 C    2.480700       1.257800      0.5337000    
 C    1.107900       1.451000     -7.5900003E-02
 C   2.0199999E-02   1.857500      0.8970000    
 C   -1.623100      3.5799999E-02  0.9063000    
 C   -2.056200       2.033800     -0.4011000    
 C   -2.930400     -0.4423000      0.4007000    
 C   -3.663100      0.3840000     -0.4621000    
 C   -3.420000      -1.696600      0.7799000    
 C   -4.897800     -6.7900002E-02 -0.9409000    
 C   -4.652200      -2.131300      0.2938000    
 C   -5.390100      -1.319000     -0.5652000    
 H    3.427200      0.5712000      -1.258600    
 H    4.608500     -0.1781000       1.475500    
 H    6.446100      -1.222300      0.2337000    
 H    5.767400     -0.7336000      -1.303500    
 H    5.226400      -3.090600     -0.9397000    
 H    4.578800      -2.751900      0.6644000    
 H    3.402000      -1.821100      -2.011900    
 H    2.730400      -3.025400     -0.9147000    
 H    1.666500     -0.9356000     -0.6548000    
 H    2.368800      0.9429000       1.578100    
 H    2.975100       2.235600      0.5340000    
 H    6.295900       1.144700      0.7032000    
 H   0.2521000       1.485700       1.899200    
 H  -2.0700000E-02   2.951300      0.9226000    
 H   -1.648400       3.016600     -0.6864000    
 H   -2.859500      -2.344300       1.448100    
 H   -5.485700      0.5540000      -1.611800    
 H   -5.037400      -3.104300      0.5845000    
 H   -6.349900      -1.659600     -0.9431000    


%chk=000063224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063224

0 1
O 4.875178 1.547804 0.880863
O 0.690731 -0.529564 -0.886664
O -1.958392 -0.139044 2.394559
N 3.470109 -1.577584 -0.567490
N -1.445374 0.844274 0.323433
N -3.019318 0.969026 -1.502918
C 3.519683 -0.153020 -0.164829
C 4.864915 0.107621 0.549999
C 6.053885 -0.284097 -0.348492
C 5.921749 -1.753108 -0.819732
C 4.553573 -1.962312 -1.500901
C 2.345305 0.184158 0.777156
C 0.974701 0.171052 0.120911
C -0.072918 1.087876 0.782236
C -2.340596 0.178789 1.227412
C -1.827519 1.178080 -0.979666
C -3.679476 -0.065082 0.664761
C -3.975663 0.336098 -0.680673
C -4.673137 -0.702397 1.453819
C -5.272271 0.088146 -1.209502
C -5.948887 -0.939350 0.917374
C -6.246077 -0.542313 -0.417934
H 3.486270 0.541762 -1.043995
H 4.889389 -0.501149 1.480766
H 7.008909 -0.135285 0.195411
H 6.064971 0.393322 -1.226447
H 6.739221 -2.002926 -1.521783
H 5.997487 -2.437416 0.046869
H 4.532632 -1.365204 -2.448556
H 4.418477 -3.024819 -1.772445
H 2.535325 -1.804027 -0.935849
H 2.320460 -0.575387 1.589716
H 2.531116 1.162034 1.258152
H 5.755463 1.781026 1.268786
H -0.062345 0.922777 1.876094
H 0.220146 2.140413 0.598484
H -1.054784 1.654363 -1.590787
H -4.413533 -0.997633 2.475674
H -5.475636 0.400477 -2.238056
H -6.717106 -1.430404 1.523875
H -7.242961 -0.731876 -0.830930


