%chk=000101414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101414

0 1
 P    1.257000     -5.7399999E-02  0.1405000    
 O    1.392900      0.2295000       1.619200    
 N    2.498800      -1.000300     -0.4459000    
 N    1.307500       1.308600     -0.8108000    
 N  -8.5100003E-02 -0.8634000     -0.3986000    
 C    2.696000      -2.283700      0.2098000    
 C    3.658900      -1.151700      0.4189000    
 C    2.545600       2.071600     -0.7751000    
 C    1.301100       2.584300     -0.1113000    
 C   -1.431000     -0.4990000     -0.1856000    
 C   -2.455500      -1.241300     -0.7731000    
 C   -1.737700      0.6028000      0.6130000    
 C   -3.786500     -0.8819000     -0.5619000    
 C   -3.068700      0.9621000      0.8242000    
 C   -4.093300      0.2198000      0.2368000    
 H    2.999600      -3.097500     -0.4338000    
 H    2.025800      -2.543900       1.017500    
 H    3.671900     -0.6563000       1.378500    
 H    4.614000      -1.200400     -8.6999997E-02
 H    2.845400       2.523300      -1.710700    
 H    3.348600       1.729600     -0.1375000    
 H    1.266900       2.598700      0.9682000    
 H   0.7580000       3.381600     -0.6010000    
 H   4.6999999E-03  -1.674100      -1.007200    
 H   -2.231600      -2.102400      -1.397600    
 H  -0.9731000       1.201600       1.094100    
 H   -4.584400      -1.459900      -1.019000    
 H   -3.308200       1.818900       1.447300    
 H   -5.129700      0.4994000      0.4016000    


%chk=000101414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101414

0 1
P 1.328333 -0.152627 0.156068
O 1.288011 0.242730 1.716495
N 2.398517 -1.482543 -0.355996
N 1.861084 1.167866 -0.943361
N -0.144988 -0.772532 -0.518274
C 2.956193 -2.387803 0.727981
C 3.867961 -1.416397 0.000587
C 2.528294 2.372659 -0.291170
C 1.119005 2.492347 -0.833404
C -1.480622 -0.413831 -0.196450
C -2.524323 -0.837359 -1.064074
C -1.801135 0.341033 0.965804
C -3.865517 -0.509871 -0.774312
C -3.146965 0.669287 1.234122
C -4.188318 0.251369 0.372954
H 2.960458 -3.448009 0.460059
H 2.692439 -2.151428 1.766405
H 4.232721 -0.550957 0.567610
H 4.531951 -1.771690 -0.792525
H 3.371785 2.770617 -0.862827
H 2.641157 2.353932 0.800225
H 0.305012 2.579576 -0.103378
H 0.939927 2.974298 -1.798897
H -0.003536 -1.423325 -1.295154
H -2.282968 -1.417477 -1.963718
H -1.006184 0.630733 1.661565
H -4.658247 -0.846629 -1.452216
H -3.382371 1.247310 2.135316
H -5.229775 0.507320 0.594060


