%chk=000051115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051115

0 1
 P  -0.2181000       2.462200      0.2646000    
 O    1.055900       1.820400     -0.5350000    
 O   -1.198500       1.153500      0.3369000    
 O   -3.656900     -0.1747000      0.3337000    
 O   -2.525800      -2.913400      1.9400001E-02
 O   0.2061000       2.814400       1.674700    
 O  -0.8541000       3.509000     -0.6256000    
 N    3.591000     -0.8865000     -0.1202000    
 C    2.694700      9.6799999E-02 -0.8592000    
 C    4.585200     -0.1194000      0.7397000    
 C    4.345600      -1.741000      -1.128500    
 C    2.738500      -1.782300      0.7668000    
 C    1.922000      0.9246000      0.1489000    
 C   -2.610800     -0.5847000     -0.5498000    
 C   -1.734300      0.6224000     -0.8640000    
 C   -1.816300      -1.685200      0.1411000    
 C   -4.704600      0.4676000     -0.3740000    
 C   -1.819700      -3.983700      0.6304000    
 H    2.017400     -0.4728000      -1.507100    
 H    3.322900      0.7275000      -1.499500    
 H    5.326300     -0.8324000       1.115500    
 H    4.075700      0.3356000       1.592400    
 H    5.076400      0.6362000      0.1197000    
 H    3.615300      -2.287700      -1.732400    
 H    4.989500      -2.438800     -0.5848000    
 H    4.947400      -1.079800      -1.759100    
 H    3.367000      -2.609700       1.112800    
 H    1.904000      -2.172800      0.1768000    
 H    2.387800      -1.228800       1.641200    
 H    1.298000      0.3100000      0.8006000    
 H    2.574600       1.545000      0.7671000    
 H   -3.039800     -0.9862000      -1.477200    
 H   -2.302400       1.408100      -1.368700    
 H  -0.9120000      0.3285000      -1.525000    
 H   -1.673200      -1.456900       1.204100    
 H  -0.8373000      -1.803800     -0.3383000    
 H   -4.382300       1.422600     -0.7961000    
 H   -5.106000     -0.1806000      -1.159400    
 H   -5.511100      0.6748000      0.3356000    
 H   -1.686100      -3.794900       1.700000    
 H  -0.8475000      -4.127700      0.1488000    
 H   -2.407200      -4.897700      0.5088000    


%chk=000051115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051115

0 1
P 0.615678 1.885806 -1.403641
O 1.382115 0.317010 -1.928098
O -0.255489 1.246698 0.052683
O -1.310981 -1.320029 0.684706
O -2.374924 -2.150372 -2.077436
O 1.815372 2.766140 -0.788893
O -0.457474 2.274632 -2.519013
N 2.517224 -0.378153 1.512015
C 2.015262 -0.891876 0.131358
C 4.021509 -0.553609 1.617956
C 1.812511 -1.223432 2.568697
C 2.156566 1.092172 1.761140
C 2.513515 -0.117964 -1.118964
C -2.019223 -0.492816 -0.327909
C -1.692834 0.977780 -0.013515
C -1.672253 -0.889723 -1.768151
C -1.946206 -2.627341 0.914759
C -2.138634 -2.567769 -3.458480
H 0.913917 -0.831114 0.176840
H 2.320420 -1.954773 0.107566
H 4.350555 -0.260734 2.627536
H 4.507582 0.092608 0.872382
H 4.281467 -1.607370 1.428589
H 0.726597 -1.119986 2.412141
H 2.096911 -0.860968 3.569339
H 2.110295 -2.277742 2.449245
H 2.565688 1.373210 2.745736
H 1.060699 1.188743 1.714440
H 2.547509 1.737716 0.954395
H 3.143303 0.757919 -0.855162
H 3.101136 -0.788973 -1.768958
H -3.116664 -0.628837 -0.191169
H -2.085032 1.224152 0.989410
H -2.165679 1.632205 -0.772176
H -0.578188 -1.009227 -1.897466
H -2.004620 -0.086091 -2.460278
H -2.984072 -2.498963 1.287458
H -1.971614 -3.227056 -0.011748
H -1.343735 -3.129838 1.691571
H -1.059782 -2.749587 -3.650635
H -2.497976 -1.801883 -4.177605
H -2.703154 -3.502866 -3.604962


