%chk=000096394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096394

0 1
 O   -3.900500     -0.8106000     -0.7485000    
 O    2.065600     -0.3570000      5.4299999E-02
 O    1.592800       1.853400     -0.2848000    
 N  -8.1500001E-02  0.3986000      0.4102000    
 C   -2.846000     -0.3771000      0.1021000    
 C   -2.345000      0.9953000     -0.3519000    
 C   -1.718000      -1.408000      5.2800000E-02
 C   -1.120800       1.428200      0.4471000    
 C  -0.5018000     -0.9386000      0.8450000    
 C    1.224600      0.7240000      3.3199999E-02
 C    3.425500     -0.1066000     -0.3195000    
 C    4.205100      -1.401700     -0.2401000    
 H   -3.245600     -0.3099000       1.120300    
 H   -3.146600       1.736700     -0.2539000    
 H   -2.096000      0.9600000      -1.420700    
 H   -1.430400      -1.589200     -0.9913000    
 H   -2.074300      -2.370700      0.4380000    
 H  -0.7396000       2.377500      5.7999998E-02
 H   -1.385700       1.586400       1.499200    
 H  -0.7444000     -0.8694000       1.912100    
 H   0.3073000      -1.666600      0.7417000    
 H   -3.555200     -0.8607000      -1.656200    
 H    3.456500      0.2819000      -1.343400    
 H    3.861600      0.6304000      0.3638000    
 H    5.250900      -1.246700     -0.5199000    
 H    4.167500      -1.812400      0.7742000    
 H    3.769100      -2.155100     -0.9044000    


%chk=000096394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096394

0 1
O -4.048322 -0.806928 -0.670631
O 2.077008 -0.386064 0.081821
O 1.594833 1.881031 -0.313505
N -0.070893 0.392660 0.416888
C -2.856522 -0.376493 0.084168
C -2.348087 1.005333 -0.376022
C -1.724305 -1.423085 0.019506
C -1.113771 1.439381 0.449888
C -0.494187 -0.959035 0.838175
C 1.213477 0.729748 0.039081
C 3.484404 -0.096435 -0.313527
C 4.243703 -1.416310 -0.218672
H -3.231404 -0.303926 1.122663
H -3.154357 1.753579 -0.268636
H -2.068407 0.957730 -1.448150
H -1.422053 -1.571155 -1.037434
H -2.090314 -2.391454 0.406955
H -0.672136 2.369626 0.059767
H -1.415788 1.616738 1.503967
H -0.760847 -0.933628 1.916463
H 0.350919 -1.649734 0.713250
H -3.800669 -0.886044 -1.627807
H 3.485676 0.318398 -1.337632
H 3.889786 0.673826 0.367079
H 5.300759 -1.259956 -0.501489
H 4.215476 -1.815389 0.809744
H 3.811120 -2.170314 -0.898510


