%chk=000046824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046824

0 1
 F    5.192400       2.154400      -1.050400    
 F    4.922900       2.284400       1.097800    
 F    6.222600      0.7564000      0.2584000    
 O  -0.9820000     -0.5833000      3.3799998E-02
 O   -1.563700      -2.730000      0.6317000    
 N   -4.465700       1.234800     -0.9153000    
 C   -4.711200     -0.1066000     -0.3528000    
 C   -3.786400       1.932400      0.1929000    
 C   -5.180200      0.1592000       1.081900    
 C   -4.566000       1.513700       1.444500    
 C   -3.358400     -0.8448000     -0.3878000    
 C   -2.338500       1.404100      0.2141000    
 C   -2.270400     -0.1163000      0.4152000    
 C   -5.693300       1.904600      -1.337500    
 C  -0.7580000      -1.920500      0.1943000    
 C   0.6196000      -2.262900     -0.2622000    
 C    1.751700      -1.323800     -0.1764000    
 C   0.8159000      -3.497600     -0.7513000    
 C    2.024800     -0.4904000      -1.248800    
 C    2.522000      -1.292800      0.9750000    
 C    3.097100      0.3979000      -1.168000    
 C    3.594300     -0.4044000       1.056000    
 C    3.881900      0.4411000     -1.5600000E-02
 C    5.028700       1.390600      7.0299998E-02
 H   -5.446700     -0.6805000     -0.9278000    
 H   -3.767100       3.020300      6.3400000E-02
 H   -4.875400     -0.6268000       1.780400    
 H   -6.273400      0.2313000       1.124200    
 H   -5.366600       2.231400       1.659300    
 H   -3.934000       1.449700       2.336200    
 H   -3.535700      -1.853100     -2.0000001E-03
 H   -3.033200     -0.9710000      -1.429700    
 H   -1.832600       1.675300     -0.7229000    
 H   -1.766200       1.898000       1.009500    
 H   -2.401500     -0.3251000       1.485200    
 H   -5.460200       2.898400      -1.735400    
 H   -6.431500       2.025300     -0.5380000    
 H   -6.165300       1.343700      -2.151700    
 H   1.0300000E-02  -4.220900     -0.8293000    
 H    1.793500      -3.822500      -1.095500    
 H    1.420300     -0.5135000      -2.151800    
 H    2.307600      -1.945600       1.817100    
 H    3.305100       1.048600      -2.012900    
 H    4.199800     -0.3779000       1.958100    


%chk=000046824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046824

0 1
F 5.511089 1.545444 -1.920039
F 4.535167 2.843637 -0.329248
F 6.014048 1.238338 0.266958
O -1.006558 -0.757302 0.198887
O -1.614088 -2.972840 0.596806
N -4.251033 1.742863 -0.523788
C -4.589487 0.294951 -0.716023
C -3.792999 1.750112 0.903368
C -5.381533 -0.117970 0.580815
C -4.842490 0.864806 1.675926
C -3.252689 -0.479507 -0.852151
C -2.370829 1.129430 0.936667
C -2.427746 -0.326515 0.443797
C -5.378433 2.664846 -0.796631
C -0.740457 -2.119083 0.300179
C 0.699556 -2.446164 -0.015328
C 1.732869 -1.384183 -0.200868
C 1.002524 -3.773167 -0.125146
C 2.712569 -1.526014 -1.221744
C 1.810892 -0.251413 0.655005
C 3.746528 -0.582996 -1.376345
C 2.842372 0.693823 0.509700
C 3.813559 0.528978 -0.506530
C 4.935572 1.516340 -0.627160
H -5.185386 0.164627 -1.635735
H -3.751069 2.785637 1.282588
H -5.212885 -1.177465 0.843033
H -6.467573 0.013305 0.430499
H -5.655335 1.492573 2.081457
H -4.383129 0.334688 2.529488
H -3.439037 -1.549435 -1.055731
H -2.686058 -0.047605 -1.696358
H -1.717397 1.717621 0.268352
H -1.952186 1.168284 1.960055
H -2.831640 -0.999280 1.222902
H -5.046056 3.703122 -0.619486
H -6.291856 2.485613 -0.179911
H -5.663401 2.579976 -1.860283
H 0.219049 -4.525857 0.010948
H 2.023114 -4.116462 -0.321959
H 2.647568 -2.370703 -1.915670
H 1.058381 -0.111008 1.434550
H 4.484594 -0.699554 -2.175558
H 2.889201 1.560805 1.175912


