%chk=000050546.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050546

0 1
 P   -3.583900      -1.790800     -4.5699999E-02
 P   -4.055900       1.308700      0.5222000    
 O   -3.019600      -1.859300       1.468100    
 O   -5.179900      -1.947500      0.1713000    
 O   -3.253100       1.175700       1.919100    
 O   -3.463600       2.669400     -0.1190000    
 O   -2.970500      -2.777100     -0.9952000    
 O   -5.549400       1.279800      0.6757000    
 O    2.907300       1.501100      -1.322300    
 O    5.416700      -1.896400      0.8009000    
 O    7.253800      -1.037100     -0.1995000    
 N   -4.292400      4.6700001E-02  -1.632300    
 N   0.4482000      0.4843000     -0.6259000    
 N    3.898400      0.1891000      0.3179000    
 C   -3.364500     -3.5000000E-02 -0.4968000    
 C   -1.951000      0.2449000      -1.054800    
 C  -0.8429000      0.2011000     -3.5000001E-03
 C    1.511600      0.4851000      0.3673000    
 C    2.824600      0.7873000     -0.3252000    
 C    5.268000      0.3388000     -0.1192000    
 C    5.913100       1.545000      0.5464000    
 C    6.084800     -0.9138000      0.1504000    
 H   -1.929600       1.226800      -1.545700    
 H   -1.715900     -0.4924000      -1.835000    
 H   -1.040700      0.9505000      0.7684000    
 H  -0.8188000     -0.7848000      0.4724000    
 H   -4.015800     -0.6162000      -2.356300    
 H   -4.228600      0.9667000      -2.068000    
 H   0.6419000     -0.2218000      -1.336100    
 H    1.350900       1.264700       1.120500    
 H    1.567800     -0.4871000      0.8703000    
 H   -2.996200      -2.725900       1.927100    
 H   -5.542800      -2.830200      0.3975000    
 H   -3.491300       1.770000       2.662100    
 H   -3.739900       3.531600      0.2585000    
 H    3.729600     -0.3587000       1.156800    
 H    5.257200      0.4806000      -1.206400    
 H    5.944500       1.424600       1.635300    
 H    6.942300       1.684700      0.1991000    
 H    5.354200       2.461500      0.3288000    
 H    5.979000      -2.686400      0.9492000    


%chk=000050546-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050546

0 1
P -3.661291 -1.625206 -0.524607
P -3.949079 1.159208 1.078239
O -3.743461 -2.021475 1.188238
O -5.351083 -1.882401 -0.818649
O -3.340091 0.244696 2.386279
O -2.908013 2.539419 1.134976
O -2.697647 -2.518869 -1.419511
O -5.502594 1.525340 1.047525
O 2.919775 -0.620313 -1.372928
O 5.951585 0.282352 2.273084
O 7.607121 -0.460674 0.819873
N -4.262791 0.786845 -1.620012
N 0.473867 0.242033 -0.394561
N 4.013611 0.174027 0.515316
C -3.384480 0.321165 -0.579346
C -1.898987 0.571177 -0.910581
C -0.885598 0.044779 0.127639
C 1.551491 0.000169 0.570172
C 2.877222 -0.163811 -0.186980
C 5.348895 -0.027130 -0.066936
C 5.729683 1.087108 -1.084438
C 6.424044 -0.118300 1.009358
H -1.746738 1.660174 -1.013701
H -1.692940 0.089578 -1.888444
H -0.990812 0.618402 1.066269
H -1.101229 -1.027512 0.370505
H -3.840957 1.330925 -2.372958
H -5.212704 1.050879 -1.337801
H 0.665249 -0.265803 -1.271677
H 1.616559 0.836488 1.295121
H 1.403018 -0.935477 1.170525
H -4.191791 -2.876126 1.405304
H -5.602246 -1.883205 -1.776595
H -3.484762 -0.751697 2.223957
H -3.322597 3.326749 1.572002
H 3.958157 0.545612 1.466038
H 5.343206 -0.987796 -0.616647
H 5.744081 2.077009 -0.596022
H 6.723574 0.883181 -1.517356
H 4.978661 1.092935 -1.890381
H 6.689692 0.233741 2.938111


