%chk=000145138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145138

0 1
 O    3.721200      0.4797000     -0.8496000    
 O   -7.774200      0.2081000      0.5951000    
 O    1.886000      -3.156800     -0.7157000    
 N   -1.826100      0.3220000     -0.7163000    
 N   -2.227900      0.3415000      0.4709000    
 C    4.368200       1.167300      0.2188000    
 C    2.359700      0.4253000     -0.8162000    
 C    5.729300      0.5725000      0.4310000    
 C    1.693300     -0.7993000     -0.7700000    
 C    1.631800       1.615300     -0.8285000    
 C  -0.4284000      0.3563000     -0.7485000    
 C   0.2992000     -0.8338000     -0.7362000    
 C   0.2379000       1.580800     -0.7946000    
 C    5.886900     -0.4874000       1.317100    
 C    6.820700       1.086300     -0.2606000    
 C    7.152100      -1.040500       1.514300    
 C    8.085900      0.5329000     -6.3299999E-02
 C   -3.632500      0.3073000      0.5038000    
 C   -6.413700      0.2407000      0.5649000    
 C    8.251500     -0.5305000      0.8241000    
 C   -4.292800     -0.9164000      0.5499000    
 C   -4.352200       1.498000      0.4880000    
 C   -5.686900     -0.9498000      0.5804000    
 C   -5.746400       1.464700      0.5187000    
 C    2.434100      -2.053000     -0.7566000    
 C   -8.409800     -0.9236000      2.7000001E-03
 C   -9.766900     -0.5076000     -0.5235000    
 H    3.785900       1.099000       1.148000    
 H    4.453700       2.231000     -3.5700001E-02
 H    2.136000       2.576800     -0.8734000    
 H  -0.2347000      -1.780800     -0.7013000    
 H  -0.3204000       2.513300     -0.8075000    
 H    5.036600     -0.8944000       1.857400    
 H    6.702800       1.912900     -0.9558000    
 H    7.281000      -1.869200       2.204500    
 H    8.942100      0.9296000     -0.6012000    
 H    9.236600     -0.9616000      0.9772000    
 H   -3.733600      -1.848100      0.5687000    
 H   -3.840200       2.455900      0.4523000    
 H   -6.166300      -1.922200      0.6440000    
 H   -6.307100       2.395300      0.5062000    
 H    3.534400      -1.991300     -0.7862000    
 H   -8.529900      -1.706200      0.7598000    
 H   -7.835300      -1.317300     -0.8451000    
 H   -9.664100      0.2848000      -1.272300    
 H   -10.38620     -0.1033000      0.2841000    
 H   -10.28830      -1.355700     -0.9763000    


%chk=000145138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145138

0 1
O 3.844539 0.056849 0.281571
O -8.127773 -0.528342 0.111638
O 1.695877 -2.414994 2.694943
N -1.788986 0.270888 -0.263400
N -2.498160 -0.519277 0.506959
C 4.706613 0.927081 -0.573088
C 2.460652 0.142846 0.121442
C 6.144368 0.629985 -0.225587
C 1.675768 -0.720131 0.959676
C 1.820167 1.011349 -0.799899
C -0.375935 0.167387 -0.067767
C 0.269294 -0.696452 0.854097
C 0.416362 1.016041 -0.886908
C 6.801198 1.356677 0.798712
C 6.851065 -0.389380 -0.911492
C 8.142447 1.068171 1.134625
C 8.192230 -0.680442 -0.578091
C -3.908113 -0.434236 0.321918
C -6.733861 -0.445817 0.128829
C 8.840603 0.048847 0.445851
C -4.567028 0.415518 -0.611271
C -4.686433 -1.287088 1.155635
C -5.968062 0.413281 -0.710912
C -6.085158 -1.295720 1.063298
C 2.332490 -1.634845 1.932341
C -8.871013 0.326579 -0.840914
C -10.352202 0.017225 -0.645628
H 4.447734 1.984396 -0.368133
H 4.489944 0.698507 -1.635005
H 2.399133 1.677422 -1.444378
H -0.321640 -1.358200 1.495605
H -0.099333 1.676702 -1.591863
H 6.259439 2.143585 1.337358
H 6.348052 -0.959492 -1.701920
H 8.641297 1.634742 1.928416
H 8.729668 -1.470826 -1.113275
H 9.881487 -0.174980 0.704666
H -3.957447 1.066084 -1.246095
H -4.161758 -1.933096 1.866777
H -6.457189 1.072580 -1.434306
H -6.698078 -1.944608 1.695405
H 3.443775 -1.594625 1.953399
H -8.542028 0.093941 -1.874087
H -8.648036 1.391500 -0.626558
H -10.663756 0.238992 0.389154
H -10.558300 -1.047046 -0.849996
H -10.960912 0.630923 -1.334240


