%chk=000045244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045244

0 1
 I    4.108700       3.214800      -1.100600    
 F    6.311400       1.442000      0.4167000    
 O   -6.616400       1.163800      0.6769000    
 O   0.5392000     -0.7759000     -0.1066000    
 O    1.643900      -2.793100     -0.2045000    
 N   -4.241300     -1.7700000E-02 -0.3549000    
 C   -4.241600      0.7258000      0.9128000    
 C   -5.561900     -0.6190000     -0.5862000    
 C   -3.197900      -1.040900     -0.3558000    
 C   -5.346200       1.778700      0.8956000    
 C   -6.634700      0.4661000     -0.5690000    
 C   -1.823400     -0.3958000     -0.2106000    
 C  -0.7125000      -1.436900     -0.2304000    
 C    1.641600      -1.575800     -0.1077000    
 C    2.879400     -0.7672000      2.8500000E-02
 C    2.897100      0.5171000     -0.4755000    
 C    3.974500      -1.326500      0.6547000    
 C    4.060700       1.275600     -0.3476000    
 C    5.138200     -0.5681000      0.7826000    
 C    5.181200      0.7330000      0.2814000    
 H   -3.311400       1.275200       1.076000    
 H   -4.397100      4.4000000E-02   1.758900    
 H   -5.782900      -1.362500      0.1908000    
 H   -5.585100      -1.125600      -1.557700    
 H   -3.357300      -1.772400      0.4472000    
 H   -3.225800      -1.590100      -1.305400    
 H   -5.388100       2.291800       1.861800    
 H   -5.170000       2.538500      0.1242000    
 H   -6.501300       1.180400      -1.390700    
 H   -7.624800      1.3000000E-02 -0.6818000    
 H   -1.651800      0.3367000      -1.010000    
 H   -1.709900      0.1478000      0.7327000    
 H  -0.7374000      -1.993800      -1.174500    
 H  -0.8393000      -2.138100      0.6029000    
 H    2.031000      0.9382000     -0.9789000    
 H    3.952200      -2.336900       1.051900    
 H    6.010500     -0.9901000       1.273000    


%chk=000045244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045244

0 1
I 4.205183 3.503929 0.047187
F 6.613701 1.327915 0.109461
O -6.868303 1.254506 0.281928
O 0.579261 -0.735981 0.008721
O 1.649850 -2.807258 0.028721
N -4.313491 -0.043779 -0.240951
C -4.483218 0.903287 0.893359
C -5.606702 -0.718717 -0.535275
C -3.224174 -1.025505 -0.024259
C -5.588774 1.922181 0.570040
C -6.690109 0.325545 -0.846354
C -1.821874 -0.377543 -0.035924
C -0.731831 -1.448876 -0.024775
C 1.710957 -1.552650 0.029464
C 2.976676 -0.761733 0.051024
C 2.967706 0.657299 0.041477
C 4.206039 -1.468664 0.079793
C 4.184088 1.368958 0.061059
C 5.423347 -0.764693 0.099375
C 5.394345 0.642745 0.089833
H -3.537928 1.448840 1.065566
H -4.747386 0.360709 1.837226
H -5.946372 -1.348669 0.325995
H -5.472738 -1.381457 -1.411530
H -3.365396 -1.595675 0.932034
H -3.282082 -1.764493 -0.848173
H -5.786582 2.579036 1.433150
H -5.281736 2.535782 -0.304413
H -6.407792 0.894169 -1.758568
H -7.672598 -0.152068 -0.995015
H -1.726734 0.248860 -0.941130
H -1.680705 0.279017 0.842114
H -0.756987 -2.086000 -0.928338
H -0.792197 -2.107512 0.861998
H 2.011410 1.184264 0.017829
H 4.185557 -2.562426 0.085962
H 6.389088 -1.277244 0.121591


