%chk=000122615.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122615

0 1
 P   -2.705600       1.545700      -1.331800    
 P   -3.776200     -0.9171000     -0.1260000    
 P   -1.877900      -1.991000       1.860700    
 F    2.470700       2.677700     -0.7486000    
 O   0.6932000       1.539400       1.328100    
 O   -1.693100       1.839600     -0.1043000    
 O   -3.844600      0.5909000     -0.6985000    
 O   -3.481300       2.947300      -1.557300    
 O   -2.055600      0.9918000      -2.566200    
 O   -2.596100     -0.8457000      0.9751000    
 O   -3.112500      -1.760400      -1.335000    
 O   -5.075400      -1.466300      0.3856000    
 O   -1.111200      -2.883400      0.7522000    
 O  -0.6792000      -1.201000       2.602800    
 O   -2.800800      -2.753000       2.765400    
 N    2.710200      0.4028000      0.7863000    
 N    4.153100      -1.279600      0.4976000    
 N    1.056400     -0.1839000     -0.8949000    
 N    1.672900      -2.228000      -2.077300    
 N    3.672900      -3.445100      -1.582100    
 C    2.129800       1.621100       1.336000    
 C   0.1617000       2.843500       1.028600    
 C    2.493900       2.893800      0.5933000    
 C    1.345600       3.802000      0.9527000    
 C  -0.6264000       2.758100     -0.2708000    
 C    2.196200     -0.3779000     -0.2146000    
 C    3.888200     -0.1843000       1.178700    
 C    3.103700      -1.412500     -0.3767000    
 C    2.808700      -2.361100      -1.350900    
 C   0.8789000      -1.163300      -1.808200    
 H    2.434800       1.683200       2.387900    
 H  -0.5149000       3.118400       1.845600    
 H    3.478600       3.289200      0.8548000    
 H    1.192600       4.616600      0.2395000    
 H    1.521300       4.236400       1.944100    
 H  -9.9999997E-05   2.405300      -1.095500    
 H   -1.036200       3.738100     -0.5350000    
 H    4.505800      0.2334000       1.962000    
 H  -2.2299999E-02  -1.090700      -2.406900    
 H    4.520700      -3.547100      -1.040800    
 H    3.436200      -4.121700      -2.294900    
 H   -3.042100       3.655400      -2.074900    
 H   -3.672400      -2.017400      -2.098200    
 H  -0.6629000      -3.709000       1.034000    
 H  -0.1345000      -1.677100       3.265100    


%chk=000122615-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122615

0 1
P -2.371177 1.645382 -1.744154
P -2.574615 -1.368821 -0.603187
P -1.556822 -1.551121 2.425839
F 3.038386 2.551960 -0.139944
O 0.485132 1.380783 1.552668
O -1.691257 2.269548 -0.298460
O -3.093060 0.127435 -1.278457
O -3.856373 2.472964 -1.866500
O -1.444598 1.658393 -3.022719
O -2.211868 -0.826464 0.957832
O -0.988608 -1.603480 -1.199268
O -3.633640 -2.517607 -0.811933
O -0.783793 -0.212332 3.030850
O -2.911627 -1.626878 3.468101
O -0.798858 -2.921421 2.189991
N 2.336351 0.019057 0.812507
N 3.095883 -2.120485 0.437534
N 1.413653 0.490843 -1.471187
N 1.612139 -1.447682 -2.965346
N 2.665195 -3.459236 -2.303279
C 1.954904 1.166378 1.609574
C 0.143600 2.787924 1.152297
C 2.584318 2.542325 1.239715
C 1.452634 3.564083 1.435426
C -0.311640 2.842026 -0.303653
C 2.047793 -0.269029 -0.540189
C 2.953784 -1.147032 1.338450
C 2.520259 -1.592459 -0.734721
C 2.276912 -2.182137 -2.009032
C 1.233977 -0.168861 -2.653350
H 2.205043 0.924534 2.659521
H -0.685091 3.086218 1.816023
H 3.477540 2.749671 1.853153
H 1.599405 4.430113 0.770244
H 1.457020 3.924898 2.478660
H 0.358365 2.244172 -0.955688
H -0.376374 3.892988 -0.641912
H 3.258717 -1.207981 2.381797
H 0.703884 0.384559 -3.432582
H 3.124323 -4.025814 -1.592707
H 2.475067 -3.834786 -3.230167
H -4.641484 1.897104 -1.671634
H -0.892192 -2.087024 -2.060363
H -0.344758 0.466995 2.368551
H -3.301648 -2.536603 3.538398


