%chk=000125643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125643

0 1
 P   0.5077000      -3.707200      0.6766000    
 P    2.654300      -1.844300       1.437600    
 F    4.921600     -0.3504000     -0.8746000    
 O   -3.172800      -1.635300     -0.2326000    
 O    1.534000      0.8570000     -0.6779000    
 O   -3.981400      -1.581400      -3.119200    
 O   -3.417200       1.037900      -2.610200    
 O  -0.9565000      -3.332700      9.9500000E-02
 O    2.844500     -0.3357000      0.8971000    
 O    3.285800       4.051800     -0.2169000    
 O    5.257800       2.372600      -1.605200    
 O    1.161200      -2.259600      0.9774000    
 O   0.2913000       3.084300      -1.785600    
 O   -4.833300       2.099300      0.1973000    
 O    1.322700      -4.210200     -0.6271000    
 O    3.600300      -2.742700      0.4808000    
 O   0.5261000      -4.654700       1.840200    
 O    2.916300      -2.016900       2.905700    
 O   -1.887100       2.883000       3.654300    
 N   -3.100300      0.5701000      0.5393000    
 N   -3.364700       2.488200       1.917900    
 C   -2.714500      -1.288600      -2.530700    
 C   -2.755800      5.7000000E-02  -1.837900    
 C   -2.508200      -2.242800      -1.362200    
 C   -3.496000     -0.2725000     -0.5532000    
 C    3.006600       2.801600     -0.8419000    
 C    4.232900       1.892100     -0.7349000    
 C    1.785900       2.168100     -0.1625000    
 C    3.881100      0.4751000      -1.168400    
 C   -1.042800      -2.442400     -0.9994000    
 C    2.623900     -4.5499999E-02 -0.4813000    
 C   0.5244000       2.996200     -0.3920000    
 C   -3.839600       1.740100      0.8324000    
 C   -1.991200      0.2350000       1.307400    
 C   -1.550800      0.9581000       2.339100    
 C   -2.266200       2.195300       2.711100    
 H   -1.955100      -1.351700      -3.315200    
 H   -1.733900      0.4032000      -1.640300    
 H   -2.987800      -3.214900      -1.523200    
 H   -4.581800     -0.2059000     -0.6926000    
 H    2.806700       3.005600      -1.900300    
 H    4.650200       1.898200      0.2779000    
 H    1.941700       2.102700      0.9222000    
 H    3.743400      0.4489000      -2.256200    
 H  -0.5516000      -1.500000     -0.7454000    
 H  -0.5227000      -2.879100      -1.857400    
 H    2.338900     -0.9748000     -0.9862000    
 H  -0.3434000       2.507700      5.8100000E-02
 H   0.6218000       4.005000      2.0400001E-02
 H   -3.919400      -2.466700      -3.516900    
 H   -3.473200       1.844900      -2.070800    
 H   -1.453200     -0.6657000       1.052600    
 H    3.476000       3.882600      0.7216000    
 H    4.904700       2.391200      -2.511000    
 H   -3.880700       3.333300       2.146500    
 H  -0.6802000      0.6663000       2.913700    
 H  -0.5228000       3.601800      -1.908200    
 H    1.460500      -3.597500      -1.380100    
 H    3.746000      -3.685600      0.7084000    


%chk=000125643-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125643

0 1
P 0.319058 -3.889904 0.962344
P 2.456021 -1.587792 1.671355
F 4.554920 -0.707889 -0.937669
O -3.074416 -1.592438 -0.460520
O 1.171627 0.824186 -0.980603
O -3.250056 -0.803872 -3.414863
O -2.442164 1.534958 -2.264115
O -1.051495 -3.470840 0.028542
O 2.477914 -0.109346 0.777319
O 3.228077 4.017293 -1.034677
O 5.106847 1.984486 -1.974793
O 0.905506 -2.233495 1.352421
O 0.002853 2.897627 -2.526798
O -3.295507 2.545727 0.017970
O 1.477073 -4.361745 -0.194113
O 3.332202 -2.682061 0.615681
O -0.002199 -4.800087 2.200048
O 2.947868 -1.423350 3.152165
O -2.672878 2.049853 4.625173
N -2.930004 0.388680 0.866296
N -3.004849 2.240590 2.318243
C -2.087345 -0.881604 -2.546783
C -2.087240 0.308874 -1.554501
C -2.245495 -2.090670 -1.601080
C -3.156365 -0.145264 -0.519430
C 2.801685 2.654989 -1.396537
C 3.975905 1.681366 -1.109270
C 1.500234 2.257809 -0.669300
C 3.536851 0.256379 -1.403889
C -0.864893 -2.554929 -1.120169
C 2.212225 -0.102240 -0.696799
C 0.296677 3.103164 -1.118757
C -3.093720 1.772195 1.019089
C -2.662739 -0.447304 1.956086
C -2.552915 0.044574 3.233394
C -2.733069 1.467429 3.510370
H -1.149132 -0.919456 -3.137347
H -1.099950 0.415587 -1.068019
H -2.817656 -2.909433 -2.062967
H -4.167982 0.171141 -0.841305
H 2.611429 2.712117 -2.481973
H 4.254468 1.761900 -0.034529
H 1.636039 2.342793 0.430707
H 3.451118 0.098099 -2.493629
H -0.262051 -1.690039 -0.789771
H -0.343945 -3.093622 -1.933740
H 1.852447 -1.093573 -1.020924
H -0.576434 2.882470 -0.472593
H 0.573853 4.164954 -0.972688
H -3.365206 0.157792 -3.650441
H -2.898224 2.130192 -1.574716
H -2.556542 -1.503891 1.702045
H 3.346207 4.074874 -0.049335
H 5.252520 2.966691 -1.943173
H -3.134341 3.249842 2.448896
H -2.334736 -0.618417 4.070751
H -0.857589 2.386506 -2.616160
H 2.397485 -3.965659 -0.006058
H 4.176125 -2.316817 0.232740


