%chk=000160666.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160666

0 1
 P    4.973400       3.031000     -0.4240000    
 O    3.083600     -0.5131000       1.155700    
 O    2.478400      -3.528400     -0.7052000    
 O    4.683400      -3.087300      0.8209000    
 O    4.688600       1.645400      0.3637000    
 O    6.372500       2.736200      -1.179500    
 O    3.891800       3.018300      -1.626100    
 O   -3.234300      -1.945500      0.5481000    
 O    4.963900       4.261600      0.4348000    
 O   -4.399700     -0.7294000      -2.496500    
 O   -6.575600     -0.6252000      -1.872400    
 O   -5.941300       3.319000       1.409500    
 O   -5.061100       1.400700       2.245700    
 N   0.8834000      -1.017500      0.4241000    
 N  -0.6564000      0.4531000     -0.2070000    
 N  -0.4133000      -2.910200       1.040900    
 N   -3.446300      0.1967000     -0.2779000    
 C    2.888700      -2.191300     -0.5041000    
 C    4.351100      -2.069800     -0.1239000    
 C    2.208900      -1.564900      0.7040000    
 C    4.393600     -0.7153000      0.5769000    
 C    4.680500      0.4368000     -0.3757000    
 C  -0.3202000      -1.644900      0.5823000    
 C   0.6312000      0.2392000     -5.1500000E-02
 C   -1.255300     -0.7173000      0.1869000    
 C   -2.676700     -0.8931000      0.1673000    
 C   -4.890700      0.1852000     -0.3279000    
 C   -5.459100       1.596100     -0.1521000    
 C   -5.392300     -0.4232000      -1.627100    
 C   -5.450700       2.057300       1.290300    
 H    2.690700      -1.618800      -1.418300    
 H    5.031200      -2.167900     -0.9748000    
 H    2.106400      -2.271800       1.534800    
 H    5.108700     -0.6984000       1.407100    
 H    5.653000      0.2944000     -0.8568000    
 H    3.906400      0.5051000      -1.146100    
 H    1.523700      -3.518600     -0.8889000    
 H    5.611400      -2.951900       1.078100    
 H    1.412800      0.9534000     -0.2723000    
 H   -1.312400      -3.367200       1.158800    
 H   0.3921000      -3.481200       1.274100    
 H   -2.960500       1.019900     -0.6236000    
 H   -5.247200     -0.4789000      0.4691000    
 H   -6.504200       1.626200     -0.4833000    
 H   -4.890600       2.318300     -0.7500000    
 H    6.813900       3.466600      -1.662900    
 H    3.823200       3.802600      -2.211200    
 H   -4.746400      -1.122300      -3.325700    
 H   -5.940200       3.624800       2.341700    


%chk=000160666-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160666

0 1
P 4.862254 2.868580 -0.754257
O 3.470279 -0.121177 0.939507
O 2.292248 -3.515353 0.185102
O 4.744848 -3.055676 1.151358
O 5.648116 1.400661 -0.387891
O 4.293763 2.507848 -2.331756
O 3.312078 2.915886 0.025138
O -2.898243 -1.835524 0.196146
O 5.772299 4.130738 -0.493438
O -3.826521 -0.373539 -2.993263
O -6.085295 0.109038 -2.777227
O -5.882638 2.638317 1.773710
O -5.602221 0.342414 1.993262
N 1.130109 -0.501539 0.680575
N -0.437379 0.916515 -0.139561
N -0.196135 -2.575137 1.050452
N -3.232634 0.392600 -0.466477
C 2.815296 -2.193726 -0.093444
C 4.357813 -2.211823 0.026713
C 2.426933 -1.134242 0.977983
C 4.715290 -0.745931 0.368992
C 5.170594 0.068755 -0.840729
C -0.079486 -1.201659 0.699451
C 0.865844 0.780563 0.166489
C -1.035354 -0.318287 0.185448
C -2.449033 -0.653646 -0.023692
C -4.645616 0.221380 -0.769127
C -5.505735 1.392504 -0.245084
C -4.949832 0.000349 -2.262966
C -5.648120 1.354911 1.264177
H 2.502128 -1.821461 -1.091007
H 4.839106 -2.561229 -0.908254
H 2.381255 -1.611080 1.979470
H 5.486554 -0.727512 1.157391
H 6.057607 -0.401592 -1.300774
H 4.373857 0.181942 -1.597074
H 1.292517 -3.417659 0.369765
H 4.101119 -3.818946 1.154461
H 1.647702 1.530604 0.055752
H -1.151530 -2.885919 0.784841
H -0.008098 -2.779613 2.043698
H -2.744317 1.267313 -0.686060
H -4.957113 -0.712625 -0.254169
H -6.516746 1.314271 -0.689302
H -5.098918 2.371733 -0.551870
H 3.641024 3.147287 -2.711367
H 3.333932 3.232739 0.964120
H -4.094857 -0.559879 -3.934270
H -6.016744 2.582325 2.759057


