%chk=000100429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100429

0 1
 P  -0.9962000     -0.1113000     -0.5124000    
 O   -1.354300     -0.2983000      -1.972100    
 N   0.6206000      0.1599000     -0.2841000    
 N   -1.794300       1.197800      0.1851000    
 N   -1.352900      -1.452800      0.4362000    
 C    1.120000      0.2801000       1.082800    
 C    1.556700     -0.5564000      -1.160600    
 C    2.429300       1.071400       1.130200    
 C    3.006200     -0.5932000     -0.6661000    
 C    3.391400      0.7210000     -5.5000000E-03
 C   -3.260800       1.190800      0.1123000    
 C   -1.321300       2.541600     -0.1669000    
 C   -1.128000      -1.390900       1.883000    
 C  -0.9165000      -2.759700     -6.1799999E-02
 H    1.335000     -0.7041000       1.503900    
 H   0.4153000      0.7994000       1.737600    
 H    1.534600     -5.7700001E-02  -2.137200    
 H    1.231700      -1.585500      -1.337100    
 H    2.918300      0.8878000       2.094800    
 H    2.218400       2.147500       1.092500    
 H    3.678200     -0.8035000      -1.505800    
 H    3.131800      -1.412700      5.2900001E-02
 H    3.370100       1.521100     -0.7563000    
 H    4.419000      0.6748000      0.3719000    
 H   -3.608100       1.332900     -0.9165000    
 H   -3.695100       1.970300      0.7474000    
 H   -3.653300      0.2349000      0.4732000    
 H   -1.491800       2.752700      -1.227900    
 H  -0.2518000       2.650500      3.2200001E-02
 H   -1.824200       3.309300      0.4314000    
 H   -1.864200      -2.042800       2.370300    
 H   -1.316800     -0.3965000       2.294900    
 H  -0.1524000      -1.759100       2.204100    
 H   -1.135100      -2.857900      -1.129700    
 H   -1.458600      -3.565200      0.4459000    
 H   0.1551000      -2.919300      8.9599997E-02


%chk=000100429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100429

0 1
P -0.758232 -0.394282 -0.524813
O -0.873531 -0.762885 -2.083764
N 0.920248 -0.119529 -0.104910
N -1.508487 1.059172 0.125436
N -1.550421 -1.638583 0.431110
C 1.385488 0.318071 1.226931
C 1.949706 -0.760046 -0.969913
C 2.456610 1.443973 1.090606
C 3.347643 -0.152686 -0.670089
C 3.214537 1.330377 -0.262109
C -2.970837 1.080174 0.334537
C -0.958965 2.369409 -0.283152
C -1.509751 -1.644607 1.899116
C -1.915768 -2.907624 -0.218330
H 1.814765 -0.543282 1.786384
H 0.519698 0.684425 1.804604
H 1.658305 -0.582150 -2.019926
H 1.979810 -1.862555 -0.819393
H 3.169752 1.359573 1.934334
H 1.980124 2.438949 1.169703
H 3.986275 -0.266659 -1.565479
H 3.843196 -0.711595 0.148370
H 2.655497 1.867100 -1.052560
H 4.208084 1.810699 -0.186236
H -3.513380 1.448657 -0.562692
H -3.209342 1.749433 1.183711
H -3.330816 0.065715 0.568262
H -1.466984 2.764758 -1.188836
H 0.116581 2.274944 -0.500533
H -1.093907 3.099602 0.538180
H -2.464624 -2.042679 2.297366
H -1.387214 -0.617158 2.282681
H -0.686686 -2.275188 2.302343
H -1.861943 -2.776689 -1.312260
H -2.951608 -3.192311 0.056917
H -1.237823 -3.737620 0.076602


