%chk=000170614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170614

0 1
 O   0.7771000       3.996600      0.4997000    
 O    4.044000      -1.725900     -0.2193000    
 N   0.3330000       1.861500     -0.3876000    
 N    1.867900      -1.057300      0.3813000    
 C  -0.4104000     -0.4369000     -0.1688000    
 C   -1.405400     -0.2590000      -1.338200    
 C  -0.9339000      -1.515300      0.8070000    
 C   -2.844600     -2.2399999E-02 -0.8808000    
 C   -2.373900      -1.276700       1.260800    
 C   -3.318200      -1.111200      7.5400002E-02
 C  -0.1952000      0.8998000      0.5669000    
 C   0.9491000     -0.8903000     -0.7333000    
 C   0.5544000       2.929000      5.8600001E-02
 C    2.956000      -1.391900      7.8199998E-02
 H   -1.396300      -1.169100      -1.954200    
 H   -1.100700      0.5527000      -2.009100    
 H  -0.2991000      -1.580200       1.699300    
 H  -0.8878000      -2.499900      0.3221000    
 H   -3.503800      2.4000001E-03  -1.756400    
 H   -2.932000      0.9581000     -0.3992000    
 H   -2.425800     -0.3893000       1.901800    
 H   -2.706000      -2.122300       1.874500    
 H   -4.325200     -0.8733000      0.4361000    
 H   -3.391300      -2.062800     -0.4657000    
 H   0.4875000      0.7761000       1.419000    
 H   -1.140100       1.269200      0.9851000    
 H    1.338700     -0.1719000      -1.467600    
 H   0.8247000      -1.844400      -1.266200    


%chk=000170614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170614

0 1
O 0.832099 4.299448 -0.412059
O 4.197181 -1.876013 0.691611
N 0.268452 1.948321 -0.118242
N 1.952889 -1.136347 0.101478
C -0.423214 -0.441184 -0.188242
C -1.460111 -0.159639 -1.313391
C -0.925276 -1.600073 0.722210
C -2.895477 0.056542 -0.778039
C -2.367847 -1.400504 1.248705
C -3.359361 -1.135418 0.090702
C -0.175210 0.822860 0.685039
C 0.914495 -0.842295 -0.870763
C 0.535010 3.134698 -0.193952
C 3.089424 -1.514851 0.324817
H -1.469019 -1.028135 -2.005173
H -1.136719 0.719409 -1.903596
H -0.220510 -1.743669 1.564099
H -0.895914 -2.535763 0.126248
H -3.585276 0.198940 -1.631626
H -2.943243 0.990492 -0.181948
H -2.405718 -0.556228 1.966593
H -2.674065 -2.300171 1.816152
H -4.374102 -0.947727 0.490756
H -3.427120 -2.043231 -0.544175
H 0.600997 0.580736 1.437103
H -1.098270 1.099691 1.226689
H 1.248896 -0.012237 -1.523960
H 0.739709 -1.732352 -1.507638


