%chk=000128288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128288

0 1
 P   0.1517000      0.8746000      0.7119000    
 O  -0.7773000     -0.1836000     -0.1209000    
 O    1.197400     -0.1757000       1.381100    
 N   -2.025200      0.3018000     -0.4641000    
 N    2.214900     -0.5974000      0.5065000    
 N   -3.445900       1.623700      -1.401600    
 N    3.139800      -1.832000     -0.9666000    
 N   -2.147800       1.393100      -1.237600    
 N    2.030500      -1.675300     -0.2522000    
 C   -3.240900     -0.2050000     -0.1056000    
 C    3.419600     -1.3500000E-02  0.3299000    
 C   -4.138000      0.6590000     -0.7183000    
 C    4.007400     -0.8269000     -0.6291000    
 C   -3.628200      -1.297000      0.6681000    
 C    4.045200       1.101500      0.8835000    
 C   -5.515700      0.4441000     -0.5668000    
 C    5.301200     -0.5331000      -1.083600    
 C   -5.005200      -1.500400      0.8116000    
 C    5.335700       1.383600      0.4217000    
 C   -5.933100     -0.6472000      0.2064000    
 C    5.953700      0.5829000     -0.5436000    
 C  -0.9398000       1.122800       2.168900    
 H   -2.906300      -1.955900       1.136400    
 H    3.565100       1.720100       1.632700    
 H   -6.242900       1.101000      -1.032600    
 H    5.788700      -1.148900      -1.832200    
 H   -5.360100      -2.338900       1.406000    
 H    5.868000       2.243000      0.8223000    
 H   -6.996300     -0.8328000      0.3376000    
 H    6.957300      0.8294000     -0.8811000    
 H   -1.308400      0.1714000       2.564100    
 H   -1.797500       1.755300       1.922800    
 H  -0.3825000       1.623300       2.966900    


%chk=000128288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128288

0 1
P 0.090708 2.392706 -0.424441
O -1.315103 1.655907 -1.329683
O 0.584360 1.000676 0.721023
N -2.505727 1.340612 -0.639853
N 1.475203 0.063906 0.178381
N -4.562968 1.713714 0.097429
N 2.077672 -1.772577 -0.909068
N -3.492510 2.346249 -0.403365
N 1.010219 -1.011175 -0.632039
C -2.967321 0.069254 -0.317988
C 2.836636 -0.028493 0.428642
C -4.291873 0.325096 0.159944
C 3.215249 -1.212661 -0.280833
C -2.407476 -1.226632 -0.381684
C 3.757891 0.745587 1.169074
C -5.114977 -0.741882 0.597421
C 4.560015 -1.656505 -0.271451
C -3.243703 -2.270884 0.052819
C 5.088621 0.288939 1.167066
C -4.573741 -2.037132 0.533823
C 5.485962 -0.891115 0.458127
C -0.785817 3.244767 0.996971
H -1.384696 -1.395770 -0.729795
H 3.453562 1.640459 1.718654
H -6.127397 -0.549759 0.964381
H 4.851245 -2.560784 -0.813507
H -2.864403 -3.298195 0.026210
H 5.845826 0.849360 1.726030
H -5.176611 -2.891534 0.858969
H 6.535802 -1.199771 0.491843
H -1.256913 2.496330 1.656010
H -1.566269 3.913121 0.600267
H -0.046366 3.825189 1.573121


