%chk=000109856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109856

0 1
 S  -0.6486000      0.3080000      0.2214000    
 F    2.878200       1.160700      -1.391000    
 F    1.206900      0.1146000      -2.289100    
 F   0.5482000       2.291100     -0.9321000    
 F    1.504200       1.595400      0.8884000    
 F    3.118300      -1.519000      -1.563200    
 F    1.310100      -1.832800     -0.4192000    
 F    3.470400      -2.285800      0.9886000    
 F    2.359400     -0.5802000       1.739900    
 F    4.172800       1.148000      0.6809000    
 F    4.963100     -0.3458000       2.043800    
 F    6.636800      0.2174000     -3.5799999E-02
 F    5.896200      -1.827000     -4.0800001E-02
 F    5.103400     -0.3820000      -1.468500    
 O   -1.171500     -0.3406000     -0.9663000    
 O  -0.3866000     -0.4675000       1.419300    
 O   -6.329300     -0.6016000     -7.9499997E-02
 O   -8.535500      3.6400001E-02  0.1763000    
 N   -1.677800       1.617200      0.6411000    
 C    1.817800      0.3565000      -1.092700    
 C   0.8612000       1.166000     -0.2275000    
 C    2.354300     -0.9710000     -0.5748000    
 C    3.161500     -0.9835000      0.7163000    
 C   -2.381200       2.337000     -0.4484000    
 C   -3.891100       2.253800     -0.2521000    
 C    4.448000     -0.1753000      0.7914000    
 C   -1.279500       2.520100       1.748000    
 C   -4.402600      0.8128000     -0.2331000    
 C    5.529900     -0.5345000     -0.1970000    
 C   -5.916000      0.7578000     -7.5000003E-02
 C   -7.670400     -0.8163000      5.4600000E-02
 C   -7.904800      -2.275000      2.9800000E-02
 C   -9.146000      -2.755200      0.1460000    
 H   -2.067100       3.387200     -0.4744000    
 H   -2.119100       1.922900      -1.427600    
 H   -4.169900       2.748500      0.6863000    
 H   -4.382400       2.807100      -1.061500    
 H  -0.5473000       3.256400       1.405000    
 H   -2.157400       3.044300       2.137400    
 H  -0.8522000       1.944700       2.574000    
 H   -4.116200      0.2974000      -1.158300    
 H   -3.943400      0.2436000      0.5841000    
 H   -6.211400       1.226300      0.8712000    
 H   -6.399300       1.288200     -0.9040000    
 H   -7.059100      -2.944000     -8.3400004E-02
 H   -9.317400      -3.826400      0.1276000    
 H   -10.01170      -2.112200      0.2605000    


%chk=000109856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109856

0 1
S -0.591551 -0.072735 0.260690
F 3.295672 1.583647 -1.232482
F 1.672847 0.420370 -2.339498
F 0.638545 2.299846 -0.684708
F 1.700103 1.447399 1.142050
F 3.833097 -1.079383 -1.834772
F 1.972005 -1.760572 -0.687923
F 4.302583 -2.325912 0.524836
F 2.979663 -0.869589 1.679924
F 4.674758 1.243536 1.110553
F 5.629100 -0.573316 2.111025
F 7.380697 0.619083 0.464665
F 6.717842 -1.337299 -0.472368
F 5.960352 0.639801 -1.296964
O -0.965198 -0.872091 -1.091830
O -0.278154 -0.794500 1.670028
O -6.913323 -0.502115 0.005662
O -8.999006 0.548474 0.111774
N -1.919705 1.154993 0.545850
C 2.281227 0.590303 -1.073416
C 1.185689 1.124933 -0.118998
C 2.989862 -0.778359 -0.737877
C 3.848509 -0.985692 0.572588
C -2.499319 1.764174 -0.677892
C -4.029159 1.936524 -0.518180
C 5.105495 -0.084237 0.891733
C -1.711846 1.997347 1.741448
C -4.778009 0.600844 -0.317728
C 6.303659 -0.047533 -0.129050
C -6.285307 0.830940 -0.205040
C -8.309025 -0.500299 0.150629
C -8.798527 -1.888656 0.348488
C -10.121190 -2.150166 0.512382
H -2.021839 2.742333 -0.890448
H -2.298002 1.081675 -1.523614
H -4.246342 2.627867 0.320461
H -4.387509 2.441882 -1.437870
H -1.109315 2.904085 1.531360
H -2.706623 2.305545 2.108499
H -1.231790 1.399870 2.534171
H -4.571542 -0.078613 -1.166087
H -4.410069 0.096219 0.593440
H -6.548581 1.483878 0.648979
H -6.713591 1.280843 -1.120838
H -8.038693 -2.676795 0.353583
H -10.489384 -3.170819 0.658353
H -10.853203 -1.334031 0.501013


