%chk=000127138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127138

0 1
 P    3.307600       1.160600     -0.4964000    
 O   0.9074000     -0.8630000       1.429200    
 O    2.088300      0.2527000      -1.038100    
 O    3.307000      0.8540000       1.091400    
 O   0.5116000      -2.972000     -0.9866000    
 O    4.636000      0.4182000      -1.046500    
 O    3.217000       2.616700     -0.8475000    
 N   -1.052400     -5.3300001E-02  0.3532000    
 N   -1.759200       2.054900      0.3029000    
 C    1.997000      -1.108900     -0.6370000    
 C    2.164300      -1.282700      0.8687000    
 C   0.5616000      -1.555200     -0.8420000    
 C  -0.1255000      -1.180600      0.4757000    
 C    3.303200     -0.5042000       1.509200    
 C   -2.402800     -0.1236000      0.1191000    
 C  -0.7169000       1.269000      0.4552000    
 C   -2.820000       1.204400      9.2200004E-02
 C   -3.267700      -1.202800     -6.5700002E-02
 C   -4.177400       1.491200     -0.1310000    
 C   -4.615100     -0.8989000     -0.2869000    
 C   -5.063900      0.4234000     -0.3192000    
 H    2.725100      -1.698900      -1.201600    
 H    2.275800      -2.345500       1.118900    
 H   7.9000004E-02  -1.107500      -1.717300    
 H  -0.6964000      -2.017200      0.8944000    
 H    3.198900     -0.5059000       2.598800    
 H    4.270700     -0.9504000       1.260400    
 H   0.9961000      -3.198100      -1.798800    
 H   0.2930000       1.606600      0.6420000    
 H   -2.922900      -2.230300     -4.4199999E-02
 H    4.768300     -0.5387000     -0.8793000    
 H   -4.536100       2.515100     -0.1580000    
 H   -5.325600      -1.708000     -0.4370000    
 H   -6.117100      0.6281000     -0.4933000    


%chk=000127138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127138

0 1
P 3.553249 1.173546 -0.002779
O 0.632813 -1.009631 1.114180
O 2.355192 0.349395 -0.940936
O 3.201463 0.647384 1.598616
O 0.714966 -2.884983 -1.597433
O 4.951209 0.238862 -0.442188
O 3.632754 2.730832 -0.208089
N -1.124436 -0.132741 -0.268205
N -1.888102 1.995043 -0.660812
C 2.184554 -1.111220 -0.697869
C 2.005795 -1.449249 0.802515
C 0.798119 -1.455531 -1.284402
C -0.201505 -1.229991 -0.102668
C 2.986334 -0.815828 1.794112
C -2.508152 -0.159076 0.022225
C -0.820800 1.191699 -0.657143
C -2.967187 1.174430 -0.239727
C -3.372950 -1.181069 0.463068
C -4.329616 1.502899 -0.062848
C -4.730361 -0.833354 0.636165
C -5.202699 0.486348 0.376329
H 3.018746 -1.654204 -1.174714
H 2.082227 -2.554409 0.904963
H 0.570745 -0.817866 -2.156831
H -0.779146 -2.163366 0.021495
H 2.585892 -0.885220 2.816948
H 3.964450 -1.328126 1.730041
H 1.119874 -3.063182 -2.482736
H 0.195342 1.490736 -0.907495
H -3.026375 -2.198207 0.674998
H 5.788573 0.760603 -0.528511
H -4.680927 2.519763 -0.261932
H -5.436755 -1.596180 0.981754
H -6.264389 0.711092 0.524809


