%chk=000126930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126930

1 1
 I    4.941500      -3.070300     -3.4899998E-02
 O   -1.830600       2.613100     -0.6796000    
 N  -0.3858000       1.456500      0.7173000    
 N   -2.871600      -1.859200      0.2213000    
 C    1.685700       2.386800     -0.2639000    
 C   0.6147000       2.494500      0.8200000    
 C    2.455100       1.098400     -0.2123000    
 C   -2.479900      0.4589000     -1.8800000E-02
 C   -1.559800       1.583200     -3.5500001E-02
 C    3.610000       1.019100      0.5564000    
 C    2.004000     -1.8000000E-03 -0.9321000    
 C   -2.015200     -0.8287000      0.2081000    
 C   -3.841800      0.6526000     -0.2297000    
 C   -4.187100      -1.701100      2.1400001E-02
 C    4.324700     -0.1777000      0.6061000    
 C    2.718600      -1.198700     -0.8823000    
 C   -4.708300     -0.4361000     -0.2101000    
 C    3.879000      -1.286800     -0.1131000    
 C   -2.353300      -3.202800      0.4618000    
 H    1.225300       2.494500      -1.255000    
 H    2.380200       3.231400     -0.1694000    
 H    1.062200       2.410600       1.816500    
 H   0.1217000       3.470500      0.7540000    
 H  -0.2250000      0.6207000       1.269300    
 H    3.964700       1.876000       1.122600    
 H    1.102900      5.4699998E-02  -1.536400    
 H  -0.9733000      -1.084200      0.3523000    
 H   -4.247500       1.645100     -0.4072000    
 H   -4.810200      -2.587000      4.3000001E-02
 H   -5.771800     -0.2987000     -0.3734000    
 H    5.225700     -0.2250000       1.212600    
 H    2.353200      -2.050700      -1.450000    
 H   -1.552000      -3.151100       1.204600    
 H   -3.147600      -3.848600      0.8452000    
 H   -1.974400      -3.587000     -0.4891000    


%chk=000126930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126930

1 1
I 2.821191 -3.778020 -0.106474
O -1.547371 2.544894 -0.986163
N -0.322308 1.966347 0.920195
N -2.187897 -1.929844 0.358728
C 1.757552 2.644778 -0.341816
C 0.713718 3.010924 0.765918
C 2.104665 1.163626 -0.326416
C -2.098751 0.476261 0.108872
C -1.298557 1.761129 -0.021047
C 2.795231 0.575092 0.765602
C 1.669834 0.316523 -1.377374
C -1.471944 -0.752302 0.386509
C -3.477954 0.482362 -0.222452
C -3.533344 -1.930704 0.076453
C 3.010381 -0.821221 0.833608
C 1.883939 -1.082613 -1.333875
C -4.199545 -0.729575 -0.214767
C 2.532479 -1.645724 -0.211692
C -1.485352 -3.219378 0.659517
H 1.344293 2.923524 -1.325966
H 2.653997 3.270679 -0.174629
H 1.204991 3.127692 1.746379
H 0.224995 3.965850 0.508396
H -0.230807 1.319437 1.705348
H 3.183543 1.206617 1.574366
H 1.163717 0.750479 -2.247834
H -0.399273 -0.840053 0.581337
H -3.952093 1.429116 -0.498969
H -4.038402 -2.898722 0.079685
H -5.266063 -0.759567 -0.448126
H 3.551486 -1.253002 1.680542
H 1.565971 -1.711477 -2.171112
H -0.460241 -3.188588 0.257709
H -1.449155 -3.372182 1.750641
H -2.028929 -4.051259 0.188609


