%chk=000104058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104058

0 1
 O    2.606600      -1.746600     -0.9113000    
 O   -3.435000     -0.3039000     -0.3232000    
 O   -2.184100      -1.970800      0.3664000    
 N   -2.324200     -0.7709000      2.6900001E-02
 C    1.166500      0.4292000      0.4389000    
 C    2.498000     -0.1013000      0.8514000    
 C   5.3700000E-02 -0.4118000      0.4257000    
 C    3.308700     -0.6596000     -0.3220000    
 C    1.034400       1.766500      6.5099999E-02
 C   -1.191000      8.4500000E-02  3.8899999E-02
 C  -0.2104000       2.262900     -0.3219000    
 C   -1.323100       1.421800     -0.3348000    
 H    2.353800     -0.8877000       1.603800    
 H    3.076100      0.6879000       1.348000    
 H   0.1789000      -1.450700      0.7223000    
 H    4.285600      -1.017900      1.7100001E-02
 H    3.468200      0.1007000      -1.093200    
 H    1.894100       2.431400      6.8999998E-02
 H  -0.3127000       3.304100     -0.6135000    
 H   -2.276900       1.843300     -0.6418000    
 H    2.497500      -2.429600     -0.2278000    


%chk=000104058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104058

0 1
O 2.648044 -1.883566 -0.893848
O -3.500513 -0.291274 -0.406117
O -2.209640 -2.004638 0.363405
N -2.372997 -0.778729 -0.008182
C 1.178888 0.450083 0.483173
C 2.542690 -0.091192 0.871694
C 0.047784 -0.397198 0.439971
C 3.313740 -0.704578 -0.328880
C 1.019288 1.811671 0.111972
C -1.194718 0.126390 0.027059
C -0.234434 2.318996 -0.301081
C -1.362893 1.476077 -0.349566
H 2.444804 -0.862673 1.660918
H 3.165989 0.721960 1.292002
H 0.112377 -1.452491 0.716549
H 4.350965 -0.946338 -0.013113
H 3.358426 0.012984 -1.164639
H 1.886769 2.482053 0.148396
H -0.332160 3.372893 -0.580816
H -2.347151 1.834064 -0.661564
H 2.649441 -2.612994 -0.223331


