%chk=000002931.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002931

0 1
 P   0.2461000      -3.823000      0.1998000    
 O   -4.439900     -2.0999999E-03  0.4389000    
 O    1.049800      -2.423700      0.2899000    
 O    1.574500       2.971600       1.244700    
 O   -3.318800       2.875400      -1.183600    
 O   0.5980000      -4.375200      -1.278800    
 O   -1.291700      -3.342200      6.1099999E-02
 O   0.5112000      -4.782400       1.322900    
 N   -1.158900       1.349200     -8.0100000E-02
 N   -4.603600       1.074200     -0.4601000    
 N    3.792900      0.8787000     -0.7560000    
 C   -2.499800       1.291600      0.4659000    
 C  -0.1858000      0.7785000      0.8456000    
 C    1.210200      0.8112000      0.2827000    
 C   -3.023600     -0.1261000      0.5879000    
 C    1.679000     -0.2574000     -0.4635000    
 C   -3.479400       1.871800     -0.5059000    
 C    2.016300       1.913200      0.5160000    
 C   0.8493000      -1.462900     -0.7404000    
 C    3.293000       1.898200     -2.2299999E-02
 C    2.970800     -0.1754000     -0.9580000    
 C    4.210600       3.056800      0.1934000    
 H   -2.601100       1.845500       1.407100    
 H  -0.4437000     -0.2466000       1.134100    
 H  -0.2074000       1.334700       1.792700    
 H  -0.9128000       2.321900     -0.2658000    
 H   -2.659300     -0.7916000     -0.2040000    
 H   -2.796600     -0.5752000       1.559400    
 H  -0.2122000      -1.226000     -0.8505000    
 H    1.156900      -1.903100      -1.696500    
 H   -5.461000       1.148100     -0.9923000    
 H    3.403400     -0.9772000      -1.548500    
 H    4.408000       3.202900       1.260300    
 H    5.175200       2.883500     -0.2965000    
 H    3.787800       3.972100     -0.2333000    
 H    2.254100       3.659400       1.316500    
 H   0.2671000      -5.258900      -1.546500    
 H   -2.003700      -4.016400      8.1100002E-02


%chk=000002931-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002931

0 1
P -0.127609 -3.654005 0.220775
O -4.626783 -0.194527 0.525443
O 0.707454 -2.171894 0.295733
O 1.804907 2.975640 1.437784
O -3.314315 2.682437 -1.208098
O 0.501571 -4.542350 -1.134630
O -1.606538 -3.144485 -0.498646
O -0.161182 -4.445331 1.587909
N -1.193461 1.062702 -0.023400
N -4.654036 0.887766 -0.459973
N 3.848581 0.938044 -0.904975
C -2.546389 1.046232 0.544699
C -0.105936 0.918457 0.984510
C 1.257791 0.911676 0.313764
C -3.142765 -0.362342 0.767734
C 1.665237 -0.125284 -0.573207
C -3.529922 1.671120 -0.481669
C 2.191625 1.946135 0.562452
C 0.748636 -1.264306 -0.923011
C 3.479168 1.937617 -0.054794
C 2.955140 -0.062235 -1.148443
C 4.481812 3.040341 0.215438
H -2.625599 1.650002 1.482988
H -0.244739 -0.051451 1.498214
H -0.136527 1.718564 1.753847
H -1.072732 1.901348 -0.613927
H -2.727405 -1.084883 0.042460
H -3.072721 -0.746805 1.796255
H -0.278966 -0.908969 -1.107182
H 1.133054 -1.848119 -1.778163
H -5.557921 1.018379 -0.912586
H 3.292747 -0.846836 -1.835673
H 4.756643 3.103729 1.287751
H 5.397721 2.825365 -0.355042
H 4.109554 4.034445 -0.105377
H 2.522787 3.650750 1.525678
H 1.171071 -5.231419 -0.890114
H -2.145052 -3.862407 -0.917125


