%chk=000159726.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159726

0 1
 P    2.419500      -1.477700      -1.684600    
 P    3.845000      0.4725000     -2.4000001E-03
 P    2.117400       1.363100       2.217100    
 O  -0.9855000      -1.527200      0.9680000    
 O   -2.345100      -4.247300       1.321400    
 O    1.363800      -1.875000     -0.5245000    
 O   -4.647400      0.3543000       1.309000    
 O    3.686100     -0.8674000     -0.8891000    
 O    2.972900      -2.897600      -2.227600    
 O   -3.019300       3.701400      -1.391900    
 O    1.872100     -0.5766000      -2.753200    
 O   0.3151000       2.989600      -1.349700    
 O    2.658900      0.3426000       1.086900    
 O    3.328400       1.649200     -0.9830000    
 O    5.208700      0.6938000      0.5827000    
 O    1.026400      0.4781000       3.016600    
 O    3.351000       1.468500       3.255700    
 O    1.611400       2.672400       1.687100    
 N   -2.598600      5.9000002E-03  0.2452000    
 N   -3.824100       2.015100     -4.1600000E-02
 C   -1.944700      -3.536000      0.1522000    
 C  -0.6329000      -2.808700      0.4121000    
 C   -2.914400      -2.408000     -0.1146000    
 C   -2.391500      -1.304000      0.7899000    
 C   0.1702000      -2.562800     -0.8586000    
 C   -1.634600      0.5286000     -0.6072000    
 C   -3.752700      0.7543000      0.5611000    
 C   -1.706000       1.735500      -1.182200    
 C   -2.893200       2.584400     -0.8972000    
 C  -0.6566000       2.279300      -2.097500    
 H   -1.895000      -4.255200     -0.6707000    
 H  -1.0400000E-02  -3.317600       1.156300    
 H   -3.956200      -2.654600      0.1135000    
 H   -2.859100      -2.113700      -1.169700    
 H   -2.860200      -1.372500       1.778800    
 H  -0.3822000      -1.985600      -1.604000    
 H   0.4408000      -3.521600      -1.314000    
 H   -1.674300      -4.931100       1.489000    
 H  -0.7643000     -7.4000001E-02 -0.8126000    
 H   -4.646700       2.572500      0.1716000    
 H   -1.083600       2.944500      -2.855000    
 H  -0.1506000       1.466800      -2.630300    
 H    3.535200      -2.911400      -3.031200    
 H   0.9871000       3.304700      -1.977900    
 H    3.403800       2.581300     -0.6871000    
 H   0.4778000      0.9094000       3.705900    
 H    3.291000       2.102500       4.001800    


%chk=000159726-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159726

0 1
P 3.005632 -2.381775 -1.591814
P 3.352491 0.716756 -0.992259
P 1.738162 1.279670 1.688965
O -0.716545 -1.363485 0.787323
O -2.419862 -3.954002 1.479760
O 1.740705 -2.358850 -0.397199
O -4.100222 0.503280 2.003681
O 3.838891 -0.930539 -1.223110
O 4.183048 -3.455007 -0.983446
O -3.032401 4.231335 -0.607613
O 2.484775 -2.714597 -3.043646
O 0.553769 2.790401 -1.519873
O 2.999895 0.587184 0.743950
O 1.887948 0.796494 -1.749578
O 4.528442 1.724449 -1.279128
O 0.789486 0.053343 2.263245
O 2.513044 1.714119 3.130151
O 1.025437 2.507145 0.942886
N -2.414785 0.278598 0.369363
N -3.541346 2.338099 0.657707
C -1.871978 -3.418386 0.231594
C -0.457586 -2.798892 0.442564
C -2.752209 -2.207898 -0.119428
C -2.190719 -1.110285 0.799610
C 0.423573 -2.890354 -0.797912
C -1.661397 0.858361 -0.648628
C -3.407620 1.015794 1.087855
C -1.794089 2.174547 -1.023014
C -2.799673 3.017004 -0.354319
C -0.851740 2.827219 -2.008921
H -1.863709 -4.186553 -0.566178
H 0.063138 -3.245833 1.307925
H -3.809744 -2.418391 0.097363
H -2.642932 -1.928456 -1.181927
H -2.580891 -1.204178 1.825914
H 0.017819 -2.308002 -1.646045
H 0.518514 -3.949476 -1.109265
H -1.924850 -4.765053 1.758882
H -0.895623 0.211666 -1.087591
H -4.247206 2.893877 1.152745
H -1.136584 3.882121 -2.148181
H -0.828683 2.322017 -2.988426
H 4.905344 -3.004968 -0.471313
H 0.646151 2.869403 -0.485396
H 1.257560 1.790589 -1.770417
H 0.217134 -0.549844 1.631311
H 3.104839 2.506052 3.056335


