%chk=000078336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078336

0 1
 O   3.2900002E-02  -4.178000      0.4154000    
 O    3.226200      -2.073800      0.3061000    
 O    3.524600       1.756900       1.129000    
 O   0.5223000       4.192000     -0.8699000    
 N    1.110200      -2.393800     -0.7226000    
 N    1.447600       2.202900      5.4600000E-02
 N    1.315500     -9.0400003E-02 -0.3358000    
 N  -0.6591000       1.208000      8.0200002E-02
 N  -0.8366000      -1.151500     -0.3184000    
 C   0.5001000      -1.151600     -0.4454000    
 C   0.6662000       1.055200     -7.2700001E-02
 C   -1.346600      6.2700003E-02 -5.6299999E-02
 C   0.3142000      -3.604100     -0.8620000    
 C    2.553000      -2.501300     -0.8788000    
 C    2.903700       2.158100     -9.3000002E-02
 C   0.8501000       3.508600      0.3406000    
 C   -2.775600      0.1447000      9.4599999E-02
 C   -3.489300     -0.9489000      0.5853000    
 C   -3.447300       1.317600     -0.2504000    
 C   -4.874300     -0.8693000      0.7310000    
 C   -4.832200       1.397200     -0.1046000    
 C   -5.545700      0.3038000      0.3860000    
 C  -0.6661000      -5.409700      0.2967000    
 C    4.637700      -2.172700      0.1744000    
 C    4.942300       1.780700       1.031600    
 C  -7.3899999E-02   5.456600     -0.6157000    
 H   0.8543000      -4.341200      -1.469400    
 H  -0.6260000      -3.402000      -1.390900    
 H    2.847400      -3.536500      -1.089400    
 H    2.877100      -1.886600      -1.728100    
 H    3.276400       3.152700     -0.3697000    
 H    3.197500       1.476900     -0.9015000    
 H  -4.2199999E-02   3.413100      0.9717000    
 H    1.565000       4.120700      0.9056000    
 H   -2.994400      -1.873800      0.8716000    
 H   -2.921000       2.183900     -0.6443000    
 H   -5.430100      -1.719800       1.114900    
 H   -5.355500       2.309700     -0.3749000    
 H   -6.624000      0.3657000      0.4995000    
 H  -6.0699999E-02  -6.143700     -0.2435000    
 H  -0.8629000      -5.791900       1.301900    
 H   -1.622300      -5.259600     -0.2136000    
 H    4.935400      -3.212000      5.9000002E-03
 H    4.990700      -1.540800     -0.6462000    
 H    5.095100      -1.824400       1.104200    
 H    5.358500       1.446600       1.985700    
 H    5.295200       2.797200      0.8330000    
 H    5.284100       1.102100      0.2443000    
 H  -0.2956000       5.931800      -1.575000    
 H   0.6136000       6.099500     -5.7700001E-02
 H   -1.009800       5.334100     -6.2199999E-02


%chk=000078336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078336

0 1
O 0.483912 -4.052294 0.431199
O 3.519137 -3.213048 -0.409768
O 3.623915 2.130879 0.895018
O 0.859111 4.331336 -1.011195
N 1.296825 -2.411930 -1.092343
N 1.524062 2.218558 -0.193186
N 1.443862 -0.087009 -0.674123
N -0.563933 1.116532 -0.030547
N -0.674938 -1.260927 -0.488003
C 0.676807 -1.217709 -0.734891
C 0.779449 1.048596 -0.304500
C -1.247028 -0.064233 -0.150914
C 0.551640 -3.655483 -0.986372
C 2.740739 -2.472210 -1.388933
C 2.954458 2.221177 -0.419453
C 0.911004 3.474573 0.190321
C -2.711320 -0.044820 0.106982
C -3.465814 -1.246298 0.047539
C -3.369230 1.175826 0.412606
C -4.854552 -1.226787 0.290158
C -4.758275 1.193300 0.654463
C -5.505878 -0.007276 0.594600
C -0.689345 -4.873180 0.728164
C 3.467078 -2.626112 0.941396
C 5.080612 2.134135 0.751326
C 0.336776 5.661485 -0.695711
H 1.093900 -4.429591 -1.563263
H -0.473047 -3.508406 -1.377405
H 2.898353 -3.031265 -2.326858
H 3.091389 -1.429316 -1.482558
H 3.234401 3.171357 -0.918517
H 3.224351 1.352771 -1.045839
H -0.104727 3.272062 0.571680
H 1.536682 3.964717 0.966025
H -2.941576 -2.176783 -0.189495
H -2.772885 2.091968 0.451199
H -5.430646 -2.157694 0.243114
H -5.259706 2.139041 0.888302
H -6.585461 0.007295 0.783008
H -0.657140 -5.851663 0.203879
H -0.670154 -5.046166 1.815525
H -1.626887 -4.343838 0.455437
H 3.745214 -1.552347 0.922921
H 2.456173 -2.744320 1.372646
H 4.196235 -3.196178 1.537704
H 5.488557 2.077239 1.772268
H 5.444195 3.063264 0.261375
H 5.435415 1.259772 0.165052
H 0.350637 6.226730 -1.640289
H 0.968173 6.183777 0.055565
H -0.704818 5.612094 -0.313508


