%chk=000065607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065607

0 1
 O    4.391900     -0.3901000      -2.051800    
 N    1.884600      0.5961000      0.4632000    
 C   0.4650000       1.007200      0.4478000    
 C   0.2635000       2.462700     -1.2200000E-02
 C  -0.4283000      5.9599999E-02 -0.3600000    
 C    1.105500       3.428900      0.8166000    
 C    2.683600       1.519300       1.284700    
 C    2.563200       2.985700      0.8640000    
 C    2.477300      0.4072000     -0.8602000    
 C   -1.907700      0.4185000     -0.3146000    
 C  -0.1894000      -1.403500     -1.2800000E-02
 C    3.862300     -0.2092000     -0.7450000    
 C   -2.694200     -0.1237000      0.6806000    
 C  -0.3891000      -2.360400     -0.9864000    
 C   -2.415000       1.274800      -1.269700    
 C   0.2199000      -1.727300       1.264300    
 C   -4.049100      0.2050000      0.7224000    
 C  -0.1701000      -3.700800     -0.6687000    
 C   -3.769900       1.603600      -1.227800    
 C   0.4391000      -3.067700       1.581800    
 C   -4.587000       1.068600     -0.2317000    
 C   0.2440000      -4.054400      0.6153000    
 H   0.1140000      0.9939000       1.490500    
 H  -0.7752000       2.783200      0.1098000    
 H   0.5180000       2.573900      -1.073300    
 H  -0.1424000      0.1623000      -1.417900    
 H   0.7071000       3.474100       1.837900    
 H    1.034400       4.440500      0.4019000    
 H    3.734400       1.233900       1.370900    
 H    2.315800       1.434900       2.317500    
 H    3.031500       3.141400     -0.1147000    
 H    3.109300       3.615700       1.575700    
 H    1.896700     -0.2814000      -1.480700    
 H    2.530400       1.338700      -1.436400    
 H    3.821500      -1.184900     -0.2492000    
 H    4.579200      0.4275000     -0.2243000    
 H   -2.310700     -0.7782000       1.454500    
 H  -0.7121000      -2.094800      -1.988400    
 H   -1.792000       1.692200      -2.054800    
 H   0.3480000      -1.006300       2.062800    
 H   -4.684500     -0.2067000       1.501000    
 H  -0.3226000      -4.469100      -1.420900    
 H   -4.189200       2.274900      -1.971500    
 H   0.7528000      -3.344800       2.584000    
 H    5.266300     -0.8037000      -1.951900    
 H   -5.641700       1.325400     -0.1985000    
 H   0.4125000      -5.098300      0.8634000    


%chk=000065607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065607

0 1
O 4.370211 -0.720570 -1.921010
N 1.940929 0.809886 0.465401
C 0.489100 1.144522 0.388538
C 0.259067 2.611872 -0.077974
C -0.336865 0.118045 -0.452625
C 0.997899 3.594318 0.864813
C 2.644322 1.729945 1.396961
C 2.494380 3.225214 1.003587
C 2.673322 0.572815 -0.801348
C -1.842045 0.417611 -0.325543
C -0.051641 -1.354311 -0.120219
C 3.595085 -0.649311 -0.666875
C -2.539193 0.167633 0.885015
C -0.255960 -2.333435 -1.125751
C -2.562586 0.957753 -1.419876
C 0.354799 -1.788701 1.167063
C -3.915432 0.460112 0.999643
C -0.065496 -3.707781 -0.859680
C -3.942119 1.248149 -1.311763
C 0.542354 -3.162295 1.440669
C -4.623968 1.002806 -0.098515
C 0.332760 -4.129132 0.430032
H 0.118384 1.082373 1.436856
H -0.821342 2.845152 -0.097644
H 0.636420 2.725413 -1.116152
H -0.079548 0.273179 -1.520104
H 0.518926 3.555407 1.866412
H 0.886550 4.633382 0.500345
H 3.711631 1.443625 1.439475
H 2.225510 1.578809 2.413987
H 3.012466 3.407775 0.040462
H 2.986969 3.865634 1.761431
H 1.971472 0.379966 -1.629685
H 3.292863 1.443207 -1.111308
H 2.982399 -1.558676 -0.511513
H 4.271336 -0.521913 0.205535
H -2.008371 -0.278078 1.734457
H -0.573642 -2.015238 -2.127064
H -2.038443 1.154176 -2.363854
H 0.560967 -1.052412 1.949788
H -4.438538 0.257868 1.941443
H -0.228627 -4.445726 -1.653566
H -4.481619 1.663928 -2.170475
H 0.859933 -3.477891 2.441378
H 4.889787 -1.562366 -1.936387
H -5.693271 1.225625 -0.010566
H 0.480464 -5.193964 0.643405


