%chk=000099496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099496

0 1
 O    1.811200      -2.640600      0.2051000    
 O   -6.186200     -2.6000001E-02 -0.9803000    
 O  -0.4534000      -2.542600      0.3203000    
 O    4.938200       1.970300     -0.3070000    
 O    5.117400     -0.2122000     -0.1529000    
 N   -1.386100      0.4065000      0.1529000    
 N   -4.192600      0.2876000      0.2038000    
 N   0.6051000      -1.883400      0.2143000    
 N    2.869600      -1.755300      8.2599998E-02
 N    4.414400      0.8313000     -0.1931000    
 C   -2.091200     -0.3614000     -0.8869000    
 C   -2.137700       1.519600      0.7504000    
 C   -3.451800     -0.8256000     -0.3730000    
 C   -3.500800       1.037000       1.242500    
 C   9.1000004E-03  0.4786000      7.1900003E-02
 C   0.9172000     -0.5951000      0.1023000    
 C   0.7131000       1.708500     -5.7100002E-02
 C    2.357100     -0.5180000      1.8999999E-02
 C   -5.494500      0.5729000     -0.1642000    
 C    3.009600      0.7220000     -0.1079000    
 C    2.132500       1.826000     -0.1426000    
 H   -1.528300      -1.213400      -1.272700    
 H   -2.244600      0.3040000      -1.747600    
 H   -2.273600       2.309800      1.4000000E-03
 H   -1.595800       1.947000       1.602700    
 H   -4.025600      -1.286700      -1.183400    
 H   -3.327100      -1.575300      0.4171000    
 H   -3.378800      0.3618000       2.098000    
 H   -4.108300       1.886000       1.573200    
 H   0.1489000       2.640500     -0.1079000    
 H   -5.893800       1.446200      0.3769000    
 H    2.535300       2.834100     -0.2418000    


%chk=000099496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099496

0 1
O 1.822013 -2.754822 0.097839
O -6.150679 -0.240161 -0.903321
O -0.640435 -2.550728 0.312148
O 4.912105 2.022418 -0.074849
O 5.106156 -0.252264 -0.280306
N -1.359514 0.507559 0.016431
N -4.180401 0.230773 0.283658
N 0.451523 -1.929346 0.143725
N 2.868922 -1.836587 -0.006090
N 4.406526 0.827030 -0.140699
C -2.123920 -0.346403 -0.941223
C -2.152744 1.643842 0.542663
C -3.406693 -0.888833 -0.285621
C -3.443332 1.101244 1.207694
C 0.031169 0.566959 0.015233
C 0.851217 -0.632015 -0.007577
C 0.747304 1.786832 0.085589
C 2.306783 -0.591580 -0.057288
C -5.498792 0.460561 -0.082931
C 2.956718 0.692543 -0.054094
C 2.163821 1.841006 0.045429
H -1.505139 -1.181829 -1.294424
H -2.393861 0.280114 -1.818072
H -2.417449 2.351154 -0.272971
H -1.560793 2.180924 1.301865
H -4.044950 -1.392580 -1.030919
H -3.137086 -1.610830 0.507433
H -3.159469 0.534800 2.116868
H -4.086382 1.947225 1.510760
H 0.195821 2.730087 0.093211
H -5.927925 1.350218 0.434252
H 2.677984 2.806788 0.051590


