%chk=000086116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086116

0 1
 O   -2.426700     -0.6585000     -0.3592000    
 O    1.094400      -1.429100      0.1076000    
 O   -1.626000      0.9170000      -1.875100    
 O    5.798300       1.436600     -9.7300000E-02
 N   -3.152700       1.472700     -0.2834000    
 N   -4.152100       3.424500      0.1782000    
 C   -1.547400      -2.850100      0.2208000    
 C   -1.246700      -1.464700     -0.4237000    
 C  -0.3384000      -3.792600      7.7500001E-02
 C   -2.780400      -3.518500     -0.4153000    
 C   -1.829800      -2.660100       1.727100    
 C  -0.1095000     -0.6740000      0.2266000    
 C   -2.318000      0.5647000     -0.9336000    
 C    2.262200     -0.7176000      5.6400001E-02
 C    2.353600      0.5070000      0.7107000    
 C    3.349000      -1.224300     -0.6490000    
 C   -3.993300       1.251600      0.7850000    
 C   -3.295000       2.806200     -0.6025000    
 C    3.544000       1.232300      0.6588000    
 C    4.539500     -0.4991000     -0.7008000    
 C    4.636800      0.7291000     -4.6900000E-02
 C   -4.590700       2.462100       1.044600    
 C    5.829100       2.684800      0.5936000    
 H   -1.006000      -1.640700      -1.481800    
 H  -0.6292000      -4.827400      0.2975000    
 H   0.4698000      -3.562400      0.7774000    
 H   5.8699999E-02  -3.782100     -0.9433000    
 H   -2.632600      -3.660000      -1.491700    
 H   -2.976000      -4.502100      2.6500000E-02
 H   -3.683500      -2.913800     -0.2779000    
 H   -2.644000      -1.948200       1.900400    
 H  -0.9494000      -2.312300       2.276700    
 H   -2.127900      -3.610700       2.185800    
 H  -0.3205000     -0.4599000       1.280300    
 H   1.2100000E-02  0.2903000     -0.2758000    
 H    1.538100      0.9203000       1.296300    
 H    3.277100      -2.180500      -1.159700    
 H   -4.095900      0.2848000       1.258300    
 H   -2.747100       3.266800      -1.413800    
 H    3.553700       2.175500       1.194400    
 H    5.387500     -0.8961000      -1.252100    
 H   -5.315200       2.685300       1.814000    
 H    5.111700       3.396500      0.1711000    
 H    5.695000       2.550800       1.672300    
 H    6.826700       3.111100      0.4462000    


%chk=000086116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086116

0 1
O -2.368468 -0.354205 0.088195
O 1.202546 -1.034914 -0.515727
O -2.372594 0.648310 -2.039137
O 6.405798 1.028390 0.148820
N -3.921182 1.268347 -0.379437
N -5.602181 2.791336 -0.380141
C -1.479769 -2.630360 0.347057
C -1.200200 -1.236786 -0.287810
C -0.348150 -3.611388 -0.066720
C -2.828458 -3.157967 -0.216876
C -1.562062 -2.546908 1.893870
C 0.046061 -0.451720 0.166723
C -2.827726 0.518203 -0.884321
C 2.459101 -0.434471 -0.276143
C 2.671371 0.680629 0.563405
C 3.553442 -1.033166 -0.951200
C -4.516882 1.204528 0.902636
C -4.624986 2.250641 -1.112453
C 3.979468 1.200499 0.730542
C 4.847786 -0.519536 -0.785224
C 5.068786 0.601437 0.058183
C -5.539344 2.141642 0.879600
C 6.683758 2.184083 1.001808
H -1.177193 -1.315143 -1.391554
H -0.577823 -4.617311 0.331023
H 0.634519 -3.295756 0.320063
H -0.264088 -3.688490 -1.166353
H -2.812815 -3.191695 -1.322883
H -3.011534 -4.184604 0.148934
H -3.675829 -2.524530 0.098236
H -2.312849 -1.803430 2.216039
H -0.588679 -2.280106 2.345237
H -1.855221 -3.529853 2.305280
H 0.178249 -0.495632 1.265879
H -0.069816 0.608446 -0.137909
H 1.842865 1.161553 1.091649
H 3.366775 -1.893875 -1.600385
H -4.156156 0.521152 1.663467
H -4.362850 2.494981 -2.138012
H 4.124276 2.066615 1.383016
H 5.703963 -0.967243 -1.298368
H -6.236300 2.399208 1.673148
H 6.151278 3.087603 0.644266
H 6.406594 1.984509 2.055959
H 7.769817 2.342180 0.928818


