%chk=000079223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079223

0 1
 O    2.617100       1.015900     -0.5657000    
 O    2.334500     -0.9489000      0.5417000    
 N  -0.2088000      -1.935000      1.1000000E-02
 N   -1.133900      -2.906100     -0.2876000    
 C  -0.5511000     -0.5644000      2.7200000E-02
 C   0.4365000      0.4203000      4.4900000E-02
 C   -1.897900     -0.2013000      2.4400000E-02
 C   7.7500001E-02   1.768200      5.9799999E-02
 C   -2.257000       1.146500      3.9099999E-02
 C   -1.269300       2.131100      5.6899998E-02
 C    1.852400      7.3700003E-02  4.8400000E-02
 H   -2.697200     -0.9374000      1.8900000E-02
 H   0.8221000       2.559500      8.7700002E-02
 H   -3.305600       1.429600      3.9400000E-02
 H   -1.549400       3.180400      7.2099999E-02
 H   0.7704000      -2.187900     -4.1099999E-02
 H  -0.8324000      -3.783000      0.1347000    
 H   -1.128800      -3.062800      -1.294800    
 H    3.568200      0.7753000     -0.5596000    


%chk=000079223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079223

0 1
O 2.753391 1.197286 -0.078052
O 2.373248 -1.079607 -0.210454
N -0.170513 -1.930868 -0.187604
N -1.144210 -2.947911 -0.229314
C -0.541201 -0.595669 -0.098191
C 0.465744 0.443109 -0.064953
C -1.916852 -0.215237 -0.037758
C 0.061565 1.808507 0.024309
C -2.277965 1.136299 0.049444
C -1.292357 2.163752 0.080811
C 1.885657 0.095074 -0.124267
H -2.663025 -1.013092 -0.062700
H 0.843608 2.572666 0.047518
H -3.340712 1.402684 0.094644
H -1.588706 3.215058 0.147675
H 0.842059 -2.131808 -0.233003
H -1.138526 -3.560212 0.592142
H -1.189580 -3.441106 -1.126478
H 3.685674 0.854774 -0.126368


