%chk=000101744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101744

0 1
 O  -3.0700000E-02 -0.8110000       2.638300    
 N    1.225200      0.1929000     -0.7373000    
 N   -3.367600      -1.843700     -0.8353000    
 C    3.317300       1.008700      0.5721000    
 C    1.231500     -0.4044000      0.6245000    
 C    2.436500      9.8399997E-02   1.449400    
 C    3.730800      0.2759000     -0.7266000    
 C    2.429400       2.195000      0.1537000    
 C    2.460100     -0.2532000      -1.430800    
 C    1.240100       1.671200     -0.6663000    
 C  -9.2299998E-02 -0.1843000       1.361100    
 C    4.724900     -0.8180000     -0.4751000    
 C   -1.263000     -0.7352000      0.5868000    
 C   -2.326900      7.4500002E-02  0.1869000    
 C    5.957700     -0.8425000     -0.9928000    
 C   -1.242300      -2.084000      0.2846000    
 C   -3.376600     -0.5312000     -0.5351000    
 C   -2.368900       1.447600      0.4826000    
 C   -2.314000      -2.586400     -0.4251000    
 C   -4.441400      0.2698000     -0.9383000    
 C   -3.446200       2.224900      6.7100003E-02
 C   -4.483600       1.634900     -0.6442000    
 H    4.189500       1.362700       1.132900    
 H    1.380900      -1.488000      0.5189000    
 H    3.017900     -0.7530000       1.821400    
 H    2.115100      0.6638000       2.333100    
 H    4.192200       1.020700      -1.391400    
 H    3.007600       2.913000     -0.4398000    
 H    2.067700       2.726400       1.042300    
 H    2.438900      0.1090000      -2.467300    
 H    2.457700      -1.348100      -1.513800    
 H   0.3055000       2.062000     -0.2587000    
 H    1.288300       2.080000      -1.684200    
 H  -0.1746000      0.8735000       1.597500    
 H    4.421100      -1.650900      0.1538000    
 H  -0.9216000     -0.7934000       3.028000    
 H    6.627000      -1.668500     -0.7779000    
 H    6.321200     -4.7600001E-02  -1.634400    
 H  -0.4440000      -2.748100      0.5940000    
 H   -1.609300       1.974000       1.045700    
 H   -2.361800      -3.637500     -0.6904000    
 H   -5.266700     -0.1683000      -1.496800    
 H   -3.478200       3.284900      0.3002000    
 H   -5.328500       2.233600     -0.9715000    


%chk=000101744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101744

0 1
O 0.254670 -0.983733 2.686958
N 1.166794 0.686507 -0.547574
N -3.367126 -2.120084 -0.693467
C 3.466480 1.032275 0.612444
C 1.259127 -0.190631 0.665808
C 2.528289 0.173643 1.507053
C 3.689890 0.367247 -0.790622
C 2.784414 2.407276 0.386122
C 2.260591 0.281679 -1.481323
C 1.352135 2.132584 -0.197637
C -0.057001 -0.176715 1.484640
C 4.367973 -0.981233 -0.708136
C -1.228552 -0.788669 0.717894
C -2.290973 -0.013266 0.123156
C 5.577158 -1.283822 -1.244473
C -1.283074 -2.183728 0.589171
C -3.345177 -0.734495 -0.572792
C -2.379366 1.417812 0.180724
C -2.355922 -2.800982 -0.121092
C -4.424215 -0.010188 -1.174434
C -3.445819 2.098309 -0.410406
C -4.477694 1.381789 -1.095468
H 4.443344 1.164381 1.111392
H 1.365598 -1.224666 0.284041
H 3.027833 -0.740940 1.867933
H 2.250925 0.751678 2.408792
H 4.339111 1.045169 -1.380412
H 3.387288 3.022138 -0.309258
H 2.721211 2.957191 1.344098
H 2.219549 0.944476 -2.364509
H 2.056507 -0.746676 -1.829959
H 0.571005 2.424090 0.525859
H 1.172518 2.719357 -1.116191
H -0.292770 0.859537 1.801521
H 3.812998 -1.772786 -0.178478
H -0.580993 -1.117554 3.202435
H 6.012426 -2.285938 -1.159133
H 6.167845 -0.533876 -1.786483
H -0.502873 -2.803387 1.042403
H -1.597131 1.992324 0.685570
H -2.389281 -3.892486 -0.224111
H -5.192091 -0.595116 -1.689908
H -3.493433 3.191465 -0.353577
H -5.306287 1.930143 -1.556772


