%chk=000001158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001158

0 1
 P   -3.888100       1.328100      0.6263000    
 P   -5.422300     -0.7340000     -0.8046000    
 O    1.128100      0.8481000      0.8110000    
 O  -0.9355000      -1.548000     -0.8672000    
 O    1.573500      -2.675000      0.5722000    
 O   -2.456200      0.7609000      0.1317000    
 O    4.453700      -1.460000       1.627700    
 O   -4.944700      0.7716000     -0.4635000    
 O   -3.826900       2.913000      0.3077000    
 O   -4.238000      0.9956000       2.048000    
 O    6.843200       1.019300      -1.436400    
 O   -6.606500     -0.5080000      -1.881000    
 O   -6.208300      -1.188300      0.5327000    
 O   -4.323200      -1.654500      -1.246500    
 N    3.283300      2.7799999E-02  0.2583000    
 N    5.642000     -0.2239000      0.1017000    
 C  -0.1461000      -1.029700      0.1858000    
 C    1.314100      -1.391700      3.1599998E-02
 C  -8.3099999E-02  0.4854000      0.1299000    
 C    2.001400     -0.2956000      0.8341000    
 C   -1.268100       1.162100      0.7946000    
 C    4.452300     -0.6142000      0.7307000    
 C    3.368800      0.9702000     -0.7602000    
 C    4.510200       1.331800      -1.350000    
 C    5.776500      0.7089000     -0.9148000    
 H  -0.5515000      -1.391100       1.138700    
 H    1.608200      -1.405900      -1.024400    
 H  -1.5300000E-02  0.8237000     -0.9124000    
 H    2.137300     -0.5870000       1.882300    
 H   -1.162600       2.250900      0.7390000    
 H   -1.330200      0.8945000       1.855400    
 H  -0.8445000      -2.516000     -0.8496000    
 H    1.305400      -2.674800       1.506800    
 H    2.442200       1.420500      -1.096700    
 H    6.494400     -0.6725000      0.4254000    
 H    4.537500       2.066100      -2.145700    
 H   -3.363500       3.506400      0.9365000    
 H   -7.010500      -1.290000      -2.313900    
 H   -6.531700      -2.111700      0.6029000    


%chk=000001158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001158

0 1
P -3.536658 0.979653 1.182300
P -4.969723 -1.140753 -0.639541
O 1.159584 1.211331 -0.475538
O -0.965655 -1.305900 -1.679994
O 1.041744 -2.291152 0.725400
O -2.539018 1.630502 -0.027074
O 3.524518 0.171775 2.464415
O -4.834953 0.367723 0.202985
O -4.281006 2.377578 1.810997
O -2.906328 -0.061015 2.200088
O 7.256349 0.005298 -0.350223
O -6.250501 -0.721160 -1.657937
O -5.771390 -2.202927 0.412941
O -3.611698 -1.691648 -1.240203
N 3.161669 0.073659 0.132185
N 5.356464 0.082026 1.008572
C -0.475747 -0.639001 -0.494920
C 0.954587 -1.159478 -0.180107
C -0.280833 0.896347 -0.718493
C 1.714664 0.092902 0.326271
C -1.069394 1.806570 0.237131
C 3.988378 0.115352 1.293264
C 3.700456 0.042540 -1.154737
C 5.050641 0.019515 -1.389437
C 5.996567 0.030307 -0.273868
H -1.135081 -0.824684 0.380928
H 1.387084 -1.526532 -1.125549
H -0.498832 1.146156 -1.769508
H 1.553155 0.253467 1.410610
H -0.865770 2.867890 0.029016
H -0.833746 1.577611 1.293762
H -1.951058 -1.470472 -1.607305
H 0.668529 -2.047184 1.611592
H 2.966351 0.069865 -1.963581
H 5.976849 0.097756 1.824688
H 5.451229 0.000729 -2.402918
H -4.904662 2.225809 2.567553
H -6.283279 0.235176 -1.919834
H -5.228185 -2.982635 0.700168


