%chk=000029143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029143

0 1
 P  -1.5600000E-02   1.581700       1.106100    
 O   0.4911000       1.399500       2.646500    
 O  -0.4835000       3.007400      0.9061000    
 O   -5.052000      -1.216900      -1.444400    
 O    4.793400      -1.969500     -0.8845000    
 O   -4.109700      0.6709000      -2.066200    
 O    3.375000      -2.421000      0.7347000    
 N   -4.171000     -0.3332000      -1.317200    
 N    3.802100      -1.672000     -0.1762000    
 C   -1.269400      0.3557000      0.8963000    
 C    1.390200       1.126900      0.1211000    
 C   -2.216000      0.4936000     -0.1188000    
 C    2.033800     -8.1900001E-02  0.3592000    
 C   -1.313100     -0.7503000       1.745200    
 C    1.835500       1.982800     -0.8794000    
 C   -3.206500     -0.4745000     -0.2849000    
 C    3.138200     -0.4397000     -0.4141000    
 C   -2.303500      -1.718200       1.579100    
 C    2.939900       1.625100      -1.652600    
 C   -3.250300      -1.580400      0.5641000    
 C    3.591300      0.4139000      -1.420000    
 H   -2.155300       1.364600     -0.7664000    
 H    1.665900     -0.7263000       1.152200    
 H  -0.5824000     -0.8798000       2.537400    
 H    1.334800       2.926800      -1.070300    
 H   -2.336300      -2.580000       2.239300    
 H    3.291900       2.289800      -2.436100    
 H   -4.007000      -2.354400      0.4648000    
 H    4.448300      0.1687000      -2.042200    
 H    1.240800       1.947700       2.962300    


%chk=000029143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029143

0 1
P -0.016069 1.574983 1.052553
O 0.429640 1.215126 2.703922
O -0.464543 3.066606 0.683812
O -5.411900 -1.029326 -1.306161
O 5.221681 -1.838381 -0.739118
O -4.428194 0.948386 -1.876907
O 3.826514 -2.263716 1.014954
N -4.480817 -0.143451 -1.193431
N 4.195416 -1.567450 -0.007018
C -1.348517 0.293418 0.871681
C 1.494045 1.069559 0.073599
C -2.373976 0.559330 -0.058655
C 2.255654 -0.063074 0.425185
C -1.351168 -0.893157 1.642551
C 1.854527 1.874575 -1.033546
C -3.392745 -0.402669 -0.210346
C 3.381230 -0.373644 -0.364944
C -2.389855 -1.836157 1.469830
C 2.990290 1.538771 -1.805581
C -3.419396 -1.600589 0.535062
C 3.763455 0.405711 -1.478453
H -2.402759 1.488308 -0.637086
H 2.013670 -0.689811 1.288335
H -0.569244 -1.059734 2.389554
H 1.251004 2.759387 -1.265872
H -2.397011 -2.752849 2.067099
H 3.271682 2.160602 -2.660787
H -4.234678 -2.311838 0.378193
H 4.645892 0.119477 -2.056935
H 0.986771 1.908610 3.139610


