%chk=000164581.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164581

0 1
 P   -3.601200      0.4897000       1.668900    
 P   -3.960400     -0.8699000     -0.9172000    
 P   -1.517900      -2.348400      -1.660300    
 F    1.228600      -1.871500       1.993400    
 F    2.317900      -3.173300      0.6254000    
 F    3.319500      -2.353100       2.379200    
 O   0.9031000       2.559700      0.9915000    
 O  -0.5142000       4.486300     -0.9195000    
 O   -2.596100       1.693700       1.270600    
 O    4.099700       2.317200      -1.613900    
 O   -3.333200     -0.6482000      0.5538000    
 O   -2.955400     -0.1462000       3.008900    
 O    4.866600      -1.939800     -5.2400000E-02
 O   -5.041500      0.8900000       1.805000    
 O   -3.108800      -2.111400      -1.503500    
 O   -3.415400      0.3942000      -1.764900    
 O   -5.448100      -1.059500     -0.9559000    
 O   -1.410000      -3.881600      -2.159500    
 O   -1.005100      -2.413800     -0.1288000    
 O  -0.8177000      -1.341500      -2.524600    
 N    2.484500       1.347500     -0.2352000    
 N    4.469100      0.1942000     -0.8288000    
 C  -0.6361000       3.077500     -0.7359000    
 C  -0.5050000       2.734300      0.7415000    
 C   0.5514000       2.378500      -1.356300    
 C    1.599700       2.475300     -0.2598000    
 C   -1.211000       1.436900       1.113400    
 C    2.112800      0.2304000      0.5017000    
 C    3.706500       1.362000     -0.9411000    
 C    2.844900     -0.8855000      0.6071000    
 C    4.147000     -0.9461000     -0.1086000    
 C    2.425900      -2.077600       1.406000    
 H   -1.587400       2.768800      -1.179500    
 H  -0.8593000       3.552900       1.378000    
 H   0.9001000       2.837500      -2.286800    
 H   0.2978000       1.333200      -1.569200    
 H    2.179800       3.399000     -0.3729000    
 H  -0.8168000       1.054000       2.060900    
 H   -1.064700      0.6617000      0.3549000    
 H   -1.269800       4.903800     -0.4720000    
 H    1.162000      0.2696000       1.011800    
 H    5.353800      0.1818000      -1.328700    
 H   -3.466500     -0.8174000       3.509100    
 H   -3.735800      0.5246000      -2.682700    
 H  -0.5303000      -4.241200      -2.402500    
 H  -4.1400000E-02  -2.459000      4.6599999E-02


%chk=000164581-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164581

0 1
P -4.005659 0.911385 1.407070
P -4.075513 -1.096058 -1.078663
P -1.156566 -2.211438 -0.814154
F 1.373484 -2.241653 1.577733
F 1.977807 -3.256958 -0.364534
F 3.425443 -3.184209 1.372412
O 0.960320 2.394649 1.100373
O -0.412315 4.515061 -0.893578
O -2.729100 2.004785 1.188146
O 4.206040 2.533580 -1.376901
O -3.562768 -0.491225 0.434812
O -3.602722 0.260710 2.936641
O 5.072349 -2.014536 -0.746082
O -5.444732 1.485900 1.132072
O -2.774295 -2.186553 -1.347566
O -3.712280 0.258517 -2.064743
O -5.490089 -1.761064 -1.244553
O -0.568234 -3.260246 -2.012639
O -1.314967 -3.101355 0.633145
O -0.419689 -0.808870 -0.670123
N 2.593694 1.246145 -0.229807
N 4.616908 0.263882 -0.971418
C -0.623552 3.086278 -0.626018
C -0.470762 2.765004 0.886207
C 0.551577 2.339855 -1.276612
C 1.654749 2.411881 -0.196942
C -1.304822 1.567842 1.358070
C 2.218988 0.034010 0.288128
C 3.846975 1.431895 -0.896197
C 3.002867 -1.100181 0.185402
C 4.293343 -1.052619 -0.520699
C 2.501617 -2.398387 0.691675
H -1.606025 2.749628 -1.005958
H -0.681934 3.653487 1.506705
H 0.854323 2.832743 -2.212311
H 0.275098 1.290471 -1.477850
H 2.277559 3.315640 -0.288688
H -1.123405 1.349789 2.423711
H -1.116053 0.676605 0.733543
H -1.179480 5.035451 -0.544557
H 1.255210 0.025167 0.795585
H 5.517258 0.360283 -1.453706
H -4.140180 -0.516061 3.236457
H -4.281770 0.354727 -2.871021
H 0.388427 -3.507267 -1.891939
H -0.545527 -2.997391 1.256576


