%chk=000000836.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000836

0 1
 O    2.514800       2.051500     -0.5368000    
 O   -1.843600       1.439900       1.234000    
 O    4.047800      2.8800000E-02  0.5969000    
 O   -3.514300       1.372200     -0.3074000    
 N   -3.554700      -1.379200      1.9600000E-02
 C   -1.310300     -0.9622000     -0.8713000    
 C   -2.298600     -0.6682000      0.2656000    
 C   0.1250000     -0.6933000     -0.4794000    
 C   0.6602000      0.5659000     -0.6918000    
 C   0.8747000      -1.712000      8.4100001E-02
 C    1.984300      0.8141000     -0.3298000    
 C   -2.637700      0.8076000      0.3315000    
 C    2.198800      -1.464000      0.4458000    
 C    2.753600     -0.2010000      0.2390000    
 H   -1.560000     -0.3817000      -1.770100    
 H   -1.384800      -2.015800      -1.175600    
 H   -1.914900      -1.002000       1.236400    
 H   5.9200000E-02   1.353700      -1.138000    
 H   0.4507000      -2.697800      0.2517000    
 H    2.792600      -2.258700      0.8892000    
 H   -3.960100      -1.079500     -0.8663000    
 H   -4.232700      -1.149900      0.7451000    
 H    1.837900       2.623800     -0.9373000    
 H   -2.053400       2.395900       1.299100    
 H    4.264700      0.9529000      0.3830000    


%chk=000000836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000836

0 1
O 2.659326 2.035295 -0.750668
O -2.656070 1.133875 1.797221
O 4.124102 0.168116 0.541096
O -2.341714 1.708189 -0.432387
N -3.692725 -1.198743 -0.110030
C -1.331304 -1.072362 -0.873009
C -2.345349 -0.700855 0.238443
C 0.111983 -0.746662 -0.515594
C 0.670467 0.519030 -0.838407
C 0.921566 -1.692843 0.162923
C 1.997317 0.812258 -0.481655
C -2.403185 0.821898 0.452929
C 2.256899 -1.395519 0.519885
C 2.802229 -0.138917 0.198957
H -1.627338 -0.546236 -1.801206
H -1.454102 -2.155939 -1.047806
H -2.040922 -1.168606 1.189460
H 0.054577 1.264726 -1.357623
H 0.508518 -2.678272 0.408294
H 2.887082 -2.124087 1.038307
H -4.062541 -0.823729 -0.990021
H -4.373445 -1.165860 0.654749
H 2.068389 2.676708 -1.212446
H -2.759925 2.119889 1.896795
H 4.325365 1.089645 0.228992


