%chk=000048857.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048857

0 1
 O   0.5056000      -1.699600       2.269500    
 N    3.101600      0.2868000     -0.5384000    
 N  -0.4059000     -0.5140000      0.4162000    
 C    1.904700      0.2698000      0.3017000    
 C   0.7728000     -0.4615000     -0.4051000    
 C   -1.650100      1.9600000E-02 -0.1420000    
 C    3.518400      -1.077200     -0.8619000    
 C    4.184800       1.007400      0.1294000    
 C   -1.964900       1.316000      0.1401000    
 C   -2.410200     -0.8161000     -0.9055000    
 C  -0.4331000      -1.138100       1.699200    
 C    4.725200      -1.078200      -1.784900    
 C    3.769100       2.427700      0.4732000    
 C   -3.150600       1.824000     -0.3906000    
 C   -3.595900     -0.3078000      -1.436300    
 C   -1.112800       2.210300      0.9815000    
 C   -2.040800      -2.234100      -1.199200    
 C   -3.965900       1.012200      -1.178800    
 C   -1.752100      -1.047200       2.431800    
 H    1.547900       1.285400      0.4912000    
 H    2.131100     -0.1768000       1.276200    
 H    1.010300      -1.514300     -0.5787000    
 H   0.5473000      5.9000002E-03  -1.371500    
 H    3.733300      -1.668800      3.6699999E-02
 H    2.751800      -1.604700      -1.434700    
 H    4.522200      0.4927000       1.038000    
 H    5.049300       1.105400     -0.5352000    
 H    4.588900     -0.3990000      -2.633500    
 H    5.650800     -0.8153000      -1.263600    
 H    4.874500      -2.084100      -2.193800    
 H    3.295000       2.931300     -0.3764000    
 H    3.097100       2.471200       1.336000    
 H    4.656000       3.012600      0.7429000    
 H   -3.451300       2.851000     -0.2006000    
 H   -4.242800     -0.9258000      -2.053400    
 H   -1.717100       2.994700       1.451600    
 H  -0.6130000       1.683800       1.798300    
 H  -0.3574000       2.697600      0.3570000    
 H   -1.139600      -2.274000      -1.819100    
 H   -1.872200      -2.797000     -0.2760000    
 H   -2.835200      -2.753900      -1.746300    
 H   -4.888800       1.408000      -1.592800    
 H   -2.553100      -1.533300       1.870800    
 H   -2.012800     -1.1900000E-02   2.657600    
 H   -1.662500      -1.576200       3.387100    


%chk=000048857-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048857

0 1
O 0.519355 -2.371953 1.713650
N 3.159624 0.190416 -0.358475
N -0.462255 -0.712419 0.414678
C 1.850729 0.328086 0.323040
C 0.799145 -0.580895 -0.362472
C -1.612017 0.087703 0.035249
C 3.954089 -0.951733 0.177710
C 3.929667 1.457292 -0.449524
C -1.911609 1.295297 0.729291
C -2.420445 -0.361605 -1.053464
C -0.504637 -1.670337 1.432038
C 4.916353 -1.555618 -0.862276
C 3.360941 2.427323 -1.503016
C -3.041325 2.046933 0.315176
C -3.533565 0.421640 -1.441137
C -1.055484 1.805283 1.876411
C -2.100946 -1.658575 -1.774629
C -3.844128 1.620721 -0.762376
C -1.829355 -1.836604 2.172060
H 1.517302 1.379694 0.266869
H 1.911824 0.055329 1.401928
H 1.230696 -1.590211 -0.481733
H 0.562338 -0.176254 -1.361106
H 4.525316 -0.647415 1.090865
H 3.242898 -1.731565 0.507346
H 3.995824 1.971874 0.543245
H 4.965862 1.198617 -0.734759
H 4.350853 -1.916309 -1.739227
H 5.658976 -0.817684 -1.217498
H 5.471818 -2.406065 -0.424283
H 3.357918 1.946229 -2.496582
H 2.322943 2.727452 -1.268609
H 3.971995 3.348149 -1.554230
H -3.285858 2.975546 0.844862
H -4.161264 0.084366 -2.274247
H -1.673379 2.336631 2.621401
H -0.510581 0.994709 2.386404
H -0.295647 2.523304 1.511259
H -1.145482 -1.592754 -2.328177
H -1.994113 -2.502970 -1.069145
H -2.893079 -1.911605 -2.499350
H -4.711800 2.215331 -1.069288
H -2.665096 -2.032729 1.476862
H -2.090129 -0.927586 2.743320
H -1.724671 -2.680538 2.869636


