%chk=000053948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053948

0 1
 O  -0.2011000     -0.3106000      -1.251800    
 N    2.102500      2.1400001E-02  0.2339000    
 N   -1.420600     -0.4837000      0.7469000    
 C    2.017300       1.459000      0.4971000    
 C    3.356500     -0.5204000      0.7435000    
 C    2.853400       2.235100     -0.5190000    
 C    3.724800      -1.800200     -5.2000000E-03
 C   0.9604000     -0.6725000      0.8318000    
 C    2.761200       3.741800     -0.2750000    
 C    5.049300      -2.374000      0.4996000    
 C  -0.2684000     -0.4641000     -3.6499999E-02
 C    3.618900       4.519600      -1.260500    
 C    5.405300      -3.667300     -0.2162000    
 C   -2.759700     -0.3260000      0.3170000    
 C   -3.533000      0.7231000      0.8141000    
 C   -3.306800      -1.220400     -0.6033000    
 C   -4.853200      0.8779000      0.3913000    
 C   -4.626900      -1.065400      -1.026200    
 C   -2.975800       1.697000       1.801400    
 C   -2.503900      -2.354100      -1.154100    
 C   -5.400200     -1.6200000E-02 -0.5288000    
 H   0.9827000       1.812100      0.3977000    
 H    2.326600       1.696700       1.523600    
 H    4.189300      0.1778000      0.6053000    
 H    3.300600     -0.7057000       1.824800    
 H    3.908100       1.943300     -0.4788000    
 H    2.500900       2.010900      -1.534200    
 H    2.947600      -2.563600      0.1102000    
 H    3.807500      -1.589200      -1.079200    
 H    1.104700      -1.758600      0.8603000    
 H   0.7939000     -0.3446000       1.865300    
 H    3.088300       3.974600      0.7451000    
 H    1.719500       4.071300     -0.3655000    
 H    4.985100      -2.567500       1.576700    
 H    5.853900      -1.645200      0.3477000    
 H    3.300600       4.331600      -2.290900    
 H    3.535300       5.594100      -1.069700    
 H    4.673400       4.239900      -1.169600    
 H    5.505700      -3.504200      -1.294000    
 H    6.356500      -4.058200      0.1583000    
 H    4.637300      -4.430400     -5.3800002E-02
 H   -1.275800     -0.2613000       1.729400    
 H   -5.470100       1.688900      0.7692000    
 H   -5.066700      -1.752400      -1.744400    
 H   -2.783200       1.201900       2.758800    
 H   -2.046200       2.139500       1.427500    
 H   -3.668600       2.524200       1.991800    
 H   -1.924200      -2.030900      -2.023300    
 H   -1.838100      -2.793100     -0.4044000    
 H   -3.160300      -3.169000      -1.481800    
 H   -6.428000      0.1045000     -0.8584000    


%chk=000053948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053948

0 1
O -0.346218 0.008132 -1.252391
N 2.141089 0.033158 0.273464
N -1.486930 -0.497115 0.733078
C 2.049005 1.511425 0.380202
C 3.400859 -0.533326 0.811987
C 2.913032 2.242540 -0.668417
C 3.813680 -1.872111 0.161292
C 0.953941 -0.673103 0.753863
C 2.799458 3.780128 -0.553883
C 5.150684 -2.405783 0.724307
C -0.331687 -0.337608 -0.040252
C 3.665648 4.519988 -1.596051
C 5.574123 -3.747223 0.087583
C -2.846812 -0.312346 0.302677
C -3.663238 0.577424 1.064833
C -3.368740 -1.029937 -0.812718
C -5.013034 0.754861 0.684478
C -4.723059 -0.807234 -1.169480
C -3.089915 1.332676 2.251896
C -2.534096 -2.025796 -1.589643
C -5.541888 0.074689 -0.434517
H 0.996611 1.800794 0.205810
H 2.320781 1.868162 1.408320
H 4.205739 0.200815 0.625368
H 3.349152 -0.664916 1.925931
H 3.978323 1.951762 -0.564508
H 2.587009 1.907155 -1.670696
H 3.029237 -2.640631 0.317239
H 3.891580 -1.720428 -0.932137
H 1.121612 -1.762103 0.644394
H 0.754903 -0.499855 1.850918
H 3.096043 4.098418 0.467230
H 1.738303 4.077807 -0.678344
H 5.064629 -2.528646 1.823779
H 5.945489 -1.650144 0.557194
H 3.371777 4.237943 -2.624324
H 3.563514 5.617037 -1.503386
H 4.736104 4.268275 -1.472793
H 5.695011 -3.645127 -1.007165
H 6.533637 -4.107951 0.501741
H 4.812768 -4.529597 0.267920
H -1.337838 -0.609641 1.740173
H -5.645948 1.439879 1.260527
H -5.136511 -1.348970 -2.028145
H -2.829538 0.659393 3.094554
H -2.169311 1.879925 1.975195
H -3.818706 2.064229 2.638766
H -1.810697 -1.502867 -2.241393
H -1.941647 -2.669603 -0.912696
H -3.174715 -2.673675 -2.211838
H -6.586913 0.226518 -0.726241


