%chk=000004403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004403

0 1
 P    4.602800      -1.899300      0.3688000    
 O   0.9764000      0.4598000      0.5657000    
 O   0.1243000       3.893400      1.8700000E-02
 O    2.128700       2.678500      -2.008200    
 O    3.231300      -1.125500     -5.1000002E-03
 O    5.138800      -1.119000       1.680000    
 O    5.617800      -1.414900     -0.7930000    
 O    4.471800      -3.387000      0.5163000    
 N   -1.301600       1.068500      0.7698000    
 N   -3.457900      0.9259000       1.322000    
 N   -1.142200     -0.8048000     -0.7687000    
 N   -3.289000      -1.940200      -1.010000    
 N   -5.255000      -1.232100      0.1565000    
 C   0.3427000       2.553700     -0.3879000    
 C    1.802000       2.286300     -0.6886000    
 C   7.1900003E-02   1.567300      0.7425000    
 C    1.878800      0.7786000     -0.5077000    
 C    3.271700      0.2834000     -0.1620000    
 C   -1.801300      2.4000001E-03  7.6099999E-02
 C   -2.335100       1.589300       1.503800    
 C   -3.138600     -6.8599999E-02  0.4319000    
 C   -3.890200      -1.086600     -0.1464000    
 C   -1.971800      -1.749100      -1.263700    
 C   -6.076200      -2.260100     -0.4107000    
 H  -0.2823000       2.364000      -1.269300    
 H    2.452700       2.827800      7.7000000E-03
 H   0.2692000       2.005800       1.728300    
 H    1.520100      0.2478000      -1.398700    
 H    3.607000      0.7287000      0.7804000    
 H    3.977100      0.5472000     -0.9559000    
 H  -0.8101000       3.971900      0.2759000    
 H    1.557400       2.189500      -2.624400    
 H   -2.210600       2.449100       2.148000    
 H   -1.523200      -2.450400      -1.959200    
 H   -5.666600     -0.5723000      0.8067000    
 H    5.938400      -1.454900       2.138200    
 H    6.509200      -1.820900     -0.8440000    
 H   -6.118200      -2.174400      -1.501300    
 H   -7.097900      -2.173500     -2.8300000E-02
 H   -5.702400      -3.254400     -0.1457000    


%chk=000004403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004403

0 1
P 4.194973 -1.033421 1.353683
O 1.503584 -0.302229 -0.245255
O 1.859589 3.045043 -0.222596
O 0.509410 0.956865 -2.908130
O 4.469387 -0.556155 -0.298744
O 2.779158 -1.958559 1.330276
O 3.625664 0.456629 2.091580
O 5.451515 -1.680462 2.050776
N -0.532467 0.443714 0.729278
N -2.287259 -0.216987 2.057611
N -1.581678 0.046580 -1.506354
N -3.868522 -0.808627 -1.320887
N -4.907716 -1.199790 0.786071
C 0.915061 2.020204 -0.679513
C 1.515327 1.367370 -1.964871
C 0.815916 0.860919 0.371777
C 2.337140 0.177251 -1.399965
C 3.741904 0.577145 -0.919506
C -1.563769 0.061729 -0.140189
C -1.026316 0.238088 2.037381
C -2.633574 -0.334200 0.697687
C -3.829884 -0.789327 0.058252
C -2.773195 -0.399396 -2.014077
C -6.159224 -1.698017 0.203532
H -0.076084 2.457344 -0.900883
H 2.159317 2.103690 -2.473880
H 1.357344 1.133903 1.297578
H 2.370445 -0.662191 -2.111253
H 3.696885 1.433423 -0.223689
H 4.363734 0.840966 -1.792004
H 1.422911 3.648853 0.428920
H -0.297780 0.532514 -2.417878
H -0.412206 0.432646 2.914399
H -2.849264 -0.433041 -3.104305
H -4.800956 -1.168684 1.802919
H 2.084788 -1.526696 0.715425
H 4.273342 0.836724 2.738557
H -6.068509 -1.647589 -0.891610
H -7.016255 -1.079003 0.525797
H -6.342839 -2.746327 0.502586


