%chk=000000651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000651

0 1
 P   -5.881400      0.2581000      0.3152000    
 O  -0.9155000      0.9377000      0.6663000    
 O   -2.338600      -1.123200      -1.891800    
 O   0.3914000      -2.056500     -0.7461000    
 O   -4.373500      0.2475000     -0.2726000    
 O   -5.860500     -0.8965000       1.447200    
 O   -6.739200     -0.4100000     -0.8817000    
 O   -6.373300       1.599100      0.7755000    
 O    6.069500       1.387600     -0.3309000    
 N    1.368500      0.9051000      2.9400000E-02
 N    2.901700     -0.8482000      0.4854000    
 N    3.642100       2.560200     -0.5706000    
 N    5.239800     -0.6451000      0.3188000    
 N    4.225500      -2.662900      0.9710000    
 C   -1.689300     -0.8409000     -0.6674000    
 C  -0.1872000     -0.7661000     -0.8256000    
 C   -2.007000      0.5636000     -0.1888000    
 C   0.2158000      0.1033000      0.3574000    
 C   -3.314200      0.6574000      0.5769000    
 C    2.646800      0.4538000      0.1065000    
 C    3.703500       1.251800     -0.1810000    
 C    4.173500      -1.350700      0.5790000    
 C    5.101700      0.6748000     -7.2200000E-02
 H   -1.979000      -1.602300      6.6900000E-02
 H   8.9900002E-02 -0.3283000      -1.792100    
 H   -2.036300       1.257100      -1.039600    
 H   0.3934000     -0.4864000       1.264600    
 H   -3.485800       1.686900      0.9097000    
 H   -3.288600      2.5900001E-02   1.472100    
 H    1.208400       1.854800     -0.2861000    
 H   -2.007600      -1.982100      -2.205100    
 H   0.1266000      -2.460500      9.7700000E-02
 H    2.110500      -1.449800      0.6742000    
 H    2.750200       3.026800     -0.6673000    
 H    4.497400       3.067300     -0.7614000    
 H   -6.658700      -1.033000       2.000600    
 H   -7.717000     -0.4356000     -0.8077000    
 H    5.111800      -3.144600       1.075800    
 H    3.382200      -3.190700       1.168000    


%chk=000000651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000651

0 1
P -3.129791 0.009838 1.704826
O -1.114265 1.420846 -1.562124
O -1.965665 -0.930561 -3.663042
O -0.535408 -2.043261 -0.558707
O -3.502588 -0.191288 0.054568
O -1.895149 -1.192839 1.734265
O -4.314597 -0.871141 2.581355
O -2.815745 1.477033 2.210421
O 4.772430 1.451833 2.228747
N 1.102119 0.836780 -0.903643
N 1.992244 -0.966750 0.464953
N 3.083938 2.591619 0.436829
N 3.828554 -0.694034 1.987412
N 2.777547 -2.780113 1.767131
C -2.022473 -0.751172 -2.206389
C -0.639058 -0.940909 -1.520753
C -2.368042 0.743182 -1.962715
C -0.280852 0.432820 -0.841246
C -3.484154 0.949321 -0.923567
C 2.013278 0.411484 0.096168
C 2.945517 1.240995 0.696380
C 2.887749 -1.442932 1.402124
C 3.916956 0.672273 1.687892
H -2.768274 -1.429774 -1.752627
H 0.111377 -1.156250 -2.300272
H -2.677810 1.213214 -2.911888
H -0.558577 0.394429 0.233973
H -4.478189 0.913690 -1.399842
H -3.339978 1.907909 -0.392194
H 1.465079 1.057975 -1.836459
H -1.815918 -1.888648 -3.865542
H -1.130135 -1.856034 0.231292
H 1.223231 -1.557364 0.095188
H 2.369813 3.102667 -0.075215
H 3.792562 3.070168 0.996295
H -1.618594 -1.514598 2.628718
H -5.050257 -0.323533 2.958440
H 3.468632 -3.109968 2.436906
H 2.251991 -3.451503 1.212542


