%chk=000001460.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001460

0 1
 P   -3.501500      -1.897300      0.8273000    
 P   -4.330300      0.9241000      0.9614000    
 P   -2.754800       2.822200     -0.6569000    
 O   0.3085000      -1.287300     -0.4062000    
 O   -2.165900      -2.528400      0.1669000    
 O   -3.325100     -0.3009000      0.6530000    
 O   -4.677900      -2.256400     -0.2236000    
 O   -3.775100      -2.335400       2.236800    
 O   -3.420000       2.231500      0.6923000    
 O   -4.488000      0.8998000       2.570100    
 O   -5.623600      0.8965000      0.2014000    
 O   -1.863200       4.056700     -0.1151000    
 O   -1.653400       1.708800      -1.055900    
 O   -3.735700       3.170100      -1.737500    
 N    2.592400     -0.6887000     -0.2203000    
 N    4.031900      -1.385700       1.338000    
 N    3.676000       1.382200     -0.8849000    
 N    5.733900       1.753200      0.3734000    
 N    6.518000      0.2201000       2.035200    
 C    1.422400     -0.6822000      -1.090400    
 C  -0.2946000      -2.247000      -1.291400    
 C    1.611300      -1.436600      -2.399200    
 C   0.2066000      -1.909200      -2.685300    
 C   -1.804000      -2.188100      -1.160700    
 C    3.579100      0.2572000     -0.1605000    
 C    2.911500      -1.654500      0.7006000    
 C    4.460000     -0.1938000      0.8097000    
 C    5.571900      0.6015000       1.068200    
 C    4.789900       2.067300     -0.5465000    
 H    1.151800      0.3642000      -1.273500    
 H   7.2499998E-02  -3.231600     -0.9760000    
 H    2.029200     -0.8089000      -3.191500    
 H    2.275800      -2.299700      -2.269400    
 H  -0.3740000      -1.088100      -3.123400    
 H   0.1666000      -2.761200      -3.369500    
 H   -2.282000      -2.898100      -1.842800    
 H   -2.165700      -1.182000      -1.395200    
 H    2.298300      -2.531000      0.8606000    
 H    4.951600       2.995700      -1.083800    
 H    6.399800     -0.6393000       2.554400    
 H    7.318000      0.8146000       2.204300    
 H   -5.066700      -3.156900     -0.2107000    
 H   -5.083100      0.2355000       2.978400    
 H   -1.422200       4.644900     -0.7645000    
 H   -1.164400       1.803800      -1.900800    


%chk=000001460-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001460

0 1
P -3.440088 -1.990907 0.586589
P -2.688647 0.983488 1.110349
P -1.276541 2.444168 -1.315582
O 0.277769 -2.381412 -0.401696
O -2.567703 -3.009075 -0.454248
O -2.246859 -0.684652 0.917532
O -4.537624 -1.210653 -0.457698
O -3.961509 -2.695729 1.893956
O -1.423039 1.809723 0.401786
O -2.384116 1.362772 2.741232
O -4.186646 1.204783 0.579355
O 0.300743 2.204886 -1.524267
O -2.069929 1.093215 -2.101161
O -2.032429 3.817630 -1.526358
N 1.998652 -0.828614 -0.010176
N 3.877304 -1.305565 1.224623
N 2.258579 1.666683 -0.065639
N 4.211656 2.459575 1.121795
N 5.701327 0.987363 2.200476
C 0.722111 -1.033970 -0.749113
C -0.412343 -2.933117 -1.595007
C 0.853100 -0.974228 -2.304852
C 0.415582 -2.389688 -2.784160
C -1.878410 -2.479248 -1.656813
C 2.605215 0.382589 0.268031
C 2.803238 -1.816746 0.593601
C 3.765457 0.078558 1.027597
C 4.577148 1.166761 1.461160
C 3.099311 2.652182 0.391497
H 0.006723 -0.287557 -0.360295
H -0.368552 -4.026934 -1.473130
H 0.190090 -0.183683 -2.688428
H 1.882875 -0.731347 -2.612911
H -0.162491 -2.347658 -3.722882
H 1.290225 -3.041470 -2.947921
H -2.377335 -2.940871 -2.527515
H -1.971667 -1.378548 -1.724578
H 2.522333 -2.863905 0.551785
H 2.823896 3.676383 0.130212
H 5.985534 0.046735 2.472274
H 6.241368 1.801144 2.492205
H -4.722158 -0.241305 -0.173463
H -2.999288 0.930229 3.389444
H 1.351874 1.929241 -0.691479
H -2.948936 1.340376 -2.489625


