%chk=000126428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126428

0 1
 P   -3.309700      0.7897000      -2.175800    
 O   -3.538000       1.555600     -0.7473000    
 O   -2.865800     -0.6899000      -1.638300    
 O   -2.134200       1.436700      -2.877400    
 O   -4.641300      0.6541000      -2.883800    
 O   0.9523000      -1.651200       1.198100    
 O    1.911600      -3.551000      0.2289000    
 O    4.742900       1.855800      -2.428700    
 O    6.036000       1.585100     -0.6755000    
 N   -1.649300       2.599000       2.251500    
 N    4.955500       1.390600      -1.283000    
 C   -2.827600       2.161600       1.461000    
 C   -2.041100       2.864800       3.711300    
 C   -1.055200       3.890500       1.673500    
 C  -0.5554000       1.522600       2.239100    
 C   -2.409400       1.938900      2.1000000E-02
 C   -1.939600      -2.585000      0.3387000    
 C   -3.159600      -2.804900     -0.5538000    
 C   -1.312600      -3.917500      0.7603000    
 C   -3.814800      -1.487400     -0.9439000    
 C  -7.1099997E-02  -3.727800       1.631600    
 C    1.053000      -3.011600      0.9139000    
 C    1.949500     -0.8929000      0.5804000    
 C    1.736100     -0.3653000     -0.6931000    
 C    3.158900     -0.6641000       1.236600    
 C    2.732200      0.3912000      -1.310400    
 C    4.155000      9.2500001E-02  0.6192000    
 C    3.941700      0.6202000     -0.6543000    
 H   -3.606400       2.931000       1.529400    
 H   -3.231800       1.241900       1.901500    
 H   -1.151400       3.180700       4.263900    
 H   -2.443600       1.937100       4.128600    
 H   -2.799900       3.652700       3.721100    
 H  -0.5361000       3.677900      0.7358000    
 H  -0.3285000       4.280600       2.393600    
 H   -1.865700       4.611100       1.530700    
 H   0.2044000       1.801300       2.976400    
 H  -8.8399999E-02   1.480200       1.253100    
 H   -1.008900      0.5644000       2.508700    
 H   -1.664600       1.144800     -7.1199998E-02
 H   -2.020900       2.843200     -0.4518000    
 H   -1.205100      -1.984800     -0.2076000    
 H   -2.227800      -2.015900       1.230800    
 H   -3.893900      -3.435900     -4.0399998E-02
 H   -2.843500      -3.333700      -1.461300    
 H   -2.048700      -4.512000       1.314100    
 H   -1.041200      -4.489600     -0.1354000    
 H   -4.672100      -1.679400      -1.596300    
 H   -4.162200     -0.9507000     -5.5199999E-02
 H  -0.3185000      -3.188200       2.553500    
 H   0.3145000      -4.703900       1.949100    
 H   0.7949000     -0.5381000      -1.208000    
 H    3.330000      -1.072100       2.229000    
 H    2.530300      0.7871000      -2.302400    
 H    5.084400      0.2504000       1.160500    


%chk=000126428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126428

0 1
P -2.419311 0.535574 -0.035650
O -2.163593 0.670697 1.765679
O -2.245680 -1.186985 -0.202092
O -1.115391 1.222080 -0.704470
O -3.904587 1.060724 -0.347634
O 1.557821 -3.704552 0.216824
O 1.468486 -3.427096 -2.117985
O 1.965814 2.491477 1.709992
O 3.743188 1.659283 2.860331
N -1.362858 4.348353 1.346804
N 2.761795 1.509405 2.034161
C -2.226428 3.138782 1.794277
C -2.323445 5.460910 0.947835
C -0.478941 3.999457 0.130501
C -0.480716 4.814685 2.498082
C -1.419497 1.861969 2.159568
C -1.798783 -4.008790 -0.419241
C -3.087448 -3.325144 -0.933859
C -1.156055 -4.983741 -1.432853
C -3.430978 -2.072023 -0.113970
C 0.319881 -5.346330 -1.068129
C 1.161453 -4.088691 -1.113910
C 1.924354 -2.371882 0.521559
C 1.222595 -1.263834 -0.009346
C 2.939862 -2.207612 1.495545
C 1.513779 0.025056 0.466492
C 3.239932 -0.921210 1.970337
C 2.508042 0.182751 1.461782
H -2.910289 2.912544 0.953811
H -2.832713 3.495932 2.646501
H -1.746574 6.366142 0.701488
H -3.012169 5.668130 1.782190
H -2.895279 5.128960 0.068048
H 0.485728 3.612833 0.487965
H -0.326976 4.922571 -0.450659
H -0.960786 3.194177 -0.461448
H 0.103558 5.688199 2.167775
H 0.211734 4.003179 2.766692
H -1.117671 5.084973 3.355684
H -1.286401 1.772845 3.251274
H -0.423436 1.879341 1.677997
H -1.087602 -3.198289 -0.180634
H -1.999433 -4.536026 0.535654
H -3.949745 -4.022097 -0.905024
H -2.946631 -3.017158 -1.988092
H -1.738008 -5.923077 -1.500972
H -1.158835 -4.527102 -2.441600
H -4.318486 -1.546414 -0.514523
H -3.606163 -2.322775 0.951254
H 0.375482 -5.798751 -0.064552
H 0.716829 -6.060906 -1.811887
H 0.424804 -1.381115 -0.745758
H 3.459132 -3.089974 1.879413
H 0.921065 0.859028 0.075284
H 4.004875 -0.758083 2.733491


