%chk=000085828.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085828

0 1
 O   -3.926400     -0.7055000      -1.002600    
 O    3.597000      -1.896100     -0.4294000    
 O    1.277600       2.513600     -0.4450000    
 O   0.3984000      -1.642600       1.319600    
 N   -1.001700      8.5299999E-02  0.5691000    
 N    1.210800      0.3711000      0.4667000    
 C  -0.8595000       1.421200     -3.1000001E-03
 C   -2.292500     -0.5307000      0.8198000    
 C   -2.784000      -1.291300     -0.4001000    
 C    3.175800     -0.5617000     -0.6602000    
 C    2.633700      0.1203000      0.5845000    
 C   0.6679000       1.534000     -3.3300001E-02
 C   0.2296000     -0.5270000      0.8423000    
 C   -4.096800      -1.978000     -0.3652000    
 C    4.609300     -0.9294000     -0.7384000    
 C   -1.405600       1.508000      -1.426000    
 C   -1.433900       2.508600      0.9014000    
 H   -2.006700      -1.712600      -1.022200    
 H   -2.167700      -1.252500       1.634800    
 H   -3.010300      0.2254000       1.151400    
 H    2.662800     -0.3144000      -1.579100    
 H    3.148100       1.079000      0.7115000    
 H    2.813100     -0.4943000       1.474000    
 H   -4.243500      -2.839100      -1.004200    
 H   -4.652300      -2.002300      0.5632000    
 H    5.072300     -0.9882000      -1.715000    
 H    5.273400     -0.6272000      6.0800001E-02
 H   -2.497900       1.450700      -1.440700    
 H   -1.121700       2.455400      -1.898600    
 H   -1.014500      0.7008000      -2.056000    
 H   -1.032100       2.433000       1.918600    
 H   -1.184000       3.507200      0.5251000    
 H   -2.524500       2.443500      0.9696000    


%chk=000085828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085828

0 1
O -4.010935 -0.311636 -0.826515
O 3.446679 -1.260187 -1.354618
O 1.307285 2.485350 -0.472730
O 0.540954 -1.712189 1.505858
N -0.938359 -0.130043 0.513913
N 1.280229 0.325995 0.493695
C -0.831325 1.207310 -0.144694
C -2.181251 -0.789710 0.922903
C -3.026714 -1.302232 -0.229206
C 3.484544 0.061001 -0.619890
C 2.721236 0.120642 0.692179
C 0.698190 1.459293 -0.073865
C 0.296321 -0.638745 0.898197
C -4.497365 -1.511513 -0.049150
C 4.727840 -0.764497 -0.728800
C -1.253274 1.179223 -1.637716
C -1.596843 2.305737 0.628593
H -2.497015 -1.896058 -0.985309
H -1.879600 -1.644720 1.558674
H -2.796015 -0.104138 1.538498
H 3.366990 0.929665 -1.278528
H 3.123998 0.949315 1.306181
H 2.829060 -0.828366 1.246091
H -5.011088 -2.273296 -0.646839
H -4.960353 -1.272044 0.917323
H 5.509494 -0.470491 -1.439338
H 5.065212 -1.345665 0.139593
H -2.341463 1.030211 -1.729738
H -0.979781 2.141733 -2.103623
H -0.732132 0.369995 -2.179103
H -1.338141 2.298677 1.702443
H -1.326230 3.291057 0.212721
H -2.685951 2.164525 0.516103


