%chk=000063260.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063260

0 1
 O   2.1900000E-02   2.112400       1.304300    
 N   0.7708000      5.5900000E-02  0.4746000    
 N   -2.096200     -0.6741000     -0.5845000    
 N   -2.359900      0.7672000       1.086700    
 N    2.729400     -2.5000000E-02 -0.8844000    
 C  -0.3174000     -0.6639000       1.140100    
 C  -0.2338000     -0.5455000       2.683400    
 C   -1.625900     -0.1537000      0.5633000    
 C   -1.347600      -1.339700       3.377600    
 C    1.123100      -1.040200       3.204000    
 C    1.718100     -0.6085000     -0.3192000    
 C   0.8327000       1.444800      0.6678000    
 C   -3.273500     -2.1400001E-02 -0.8464000    
 C    1.983800       2.120800      3.2499999E-02
 C   -3.416000      0.8729000      0.2110000    
 C    2.886500       1.355900     -0.7101000    
 C    1.568400      -2.059500     -0.5359000    
 C   -4.197800     -0.1332000      -1.885600    
 C    2.166100       3.500600      0.1791000    
 C   -4.541200       1.713500      0.2500000    
 C    3.980500       1.992600      -1.307500    
 C    2.170800      -2.953300      0.3430000    
 C   0.8256000      -2.521800      -1.617000    
 C   -5.311700      0.7112000      -1.830800    
 C   -5.482300       1.618800     -0.7829000    
 C    3.260300       4.121100     -0.4216000    
 C    4.167200       3.368300      -1.164100    
 C    2.029000      -4.325700      0.1382000    
 C   0.6838000      -3.894300      -1.821600    
 C    1.285500      -4.796200     -0.9440000    
 H  -0.2812000      -1.733700      0.9166000    
 H  -0.3465000      0.4955000       3.005600    
 H   -1.315200      -2.397300       3.093700    
 H   -1.242100      -1.282200       4.466600    
 H   -2.340500     -0.9529000       3.130500    
 H    1.262300      -2.105200       2.996500    
 H    1.183200     -0.9095000       4.290400    
 H    1.958400     -0.4839000       2.769000    
 H   -1.683800      -1.405700      -1.147600    
 H   -4.063000     -0.8383000      -2.697900    
 H    1.471100       4.105000      0.7553000    
 H   -4.682700       2.422100       1.059900    
 H    4.695800       1.418300      -1.891600    
 H    2.765700      -2.598200       1.179400    
 H   0.3593000      -1.827200      -2.310400    
 H   -6.058400      0.6592000      -2.619400    
 H   -6.358500       2.262000     -0.7677000    
 H    3.406200       5.191600     -0.3104000    
 H    5.019700       3.851600      -1.632300    
 H    2.500500      -5.027900      0.8195000    
 H   0.1060000      -4.260600      -2.665100    
 H    1.176000      -5.864800      -1.104100    


%chk=000063260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063260

0 1
O 0.162374 2.050028 1.474187
N 0.801780 -0.018215 0.559227
N -1.787328 0.235570 -0.661439
N -2.815918 0.061928 1.364770
N 2.596933 -0.184376 -1.051668
C -0.369528 -0.641586 1.277424
C -0.338527 -0.536764 2.843827
C -1.660903 -0.086364 0.699719
C -1.147667 -1.715447 3.439801
C 1.086295 -0.492492 3.439100
C 1.657689 -0.754882 -0.302926
C 0.945687 1.408184 0.715250
C -3.112065 0.640991 -0.881301
C 2.018583 2.019112 -0.085294
C -3.746174 0.518704 0.402742
C 2.796687 1.201048 -0.962733
C 1.519140 -2.241380 -0.450130
C -3.800966 1.087507 -2.026829
C 2.258230 3.416049 -0.007202
C -5.112696 0.846537 0.548239
C 3.811631 1.802539 -1.758801
C 1.536563 -3.140293 0.649016
C 1.462860 -2.768673 -1.767259
C -5.165589 1.409969 -1.859985
C -5.810771 1.291234 -0.593897
C 3.264859 3.996549 -0.795499
C 4.040734 3.185281 -1.673490
C 1.478415 -4.534041 0.433357
C 1.388480 -4.161142 -1.980562
C 1.392266 -5.049626 -0.880140
H -0.328526 -1.712742 1.011360
H -0.847501 0.405566 3.106397
H -0.678101 -2.690690 3.200386
H -1.191073 -1.625784 4.540772
H -2.181363 -1.709119 3.056844
H 1.669765 -1.409135 3.228001
H 1.010794 -0.404188 4.538307
H 1.661986 0.376695 3.079279
H -1.034230 0.229683 -1.346909
H -3.313508 1.184283 -3.002679
H 1.639454 4.011657 0.671652
H -5.601307 0.757578 1.523177
H 4.398476 1.157930 -2.419943
H 1.632074 -2.758372 1.669877
H 1.498120 -2.076453 -2.614536
H -5.742395 1.760767 -2.722950
H -6.870927 1.554172 -0.510306
H 3.454958 5.073375 -0.738193
H 4.824462 3.645384 -2.285268
H 1.505495 -5.215028 1.290753
H 1.335668 -4.552319 -3.002286
H 1.339107 -6.131309 -1.044742


