%chk=000003012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003012

0 1
 S   -8.381800     -3.8699999E-02 -0.9497000    
 F    5.145200      -5.007900      0.1404000    
 O   -3.759300      -1.610700     -0.7598000    
 N  -0.5750000       1.025300      0.9129000    
 N   -5.920500     -0.7600000     -0.7447000    
 N   -6.526400       1.034200      0.6976000    
 C   0.2742000       2.003000      0.2117000    
 C  -3.4499999E-02 -0.3378000      0.7763000    
 C    1.705300       1.996900      0.7612000    
 C    1.384300     -0.4373000       1.347900    
 C    2.274900      0.6050000      0.7283000    
 C   -1.946400       1.084000      0.4073000    
 C   -2.845000      0.1481000       1.209600    
 C    3.456700      0.3143000      0.1677000    
 C   -4.251900      0.1967000      0.7176000    
 C    3.905700      -1.104400      0.1605000    
 C    4.255700       1.425600     -0.4162000    
 C   -5.222300       1.033200       1.156100    
 C   -4.601000     -0.8237000     -0.3343000    
 C    4.651400      -1.569400       1.222100    
 C    3.561400      -1.904800     -0.9077000    
 C    4.066500       1.754200      -1.741600    
 C    5.157900       2.088700      0.3879000    
 C   -6.801600      0.1603000     -0.2076000    
 C   -4.967300       2.100900       2.188500    
 C    5.073300      -2.899000       1.215500    
 C    3.983100      -3.234300     -0.9144000    
 C    4.815600       2.795600      -2.289100    
 C    5.906700       3.130400     -0.1598000    
 C   -6.482600      -1.580600      -1.698500    
 C    4.739100      -3.731500      0.1472000    
 C    5.735700       3.483800      -1.498300    
 C   -7.777000      -1.339800      -1.934500    
 H  -0.1364000       3.011100      0.3481000    
 H   0.2911000       1.801300     -0.8681000    
 H  -0.6095000      -1.068700       1.349300    
 H  -3.7999999E-02 -0.6595000     -0.2740000    
 H    2.276000       2.748300      0.2107000    
 H    1.691900       2.336400       1.805800    
 H    1.351200     -0.2576000       2.431200    
 H    1.721300      -1.469600       1.227400    
 H   -2.323700       2.110400      0.5002000    
 H   -1.981300      0.8263000     -0.6600000    
 H   -2.799800      0.4057000       2.275400    
 H   -2.525100     -0.8962000       1.171100    
 H    4.916700     -0.9304000       2.059500    
 H    2.972000      -1.528200      -1.739000    
 H    3.351700       1.225900      -2.366200    
 H    5.298600       1.822500       1.431700    
 H   -3.909900       2.266800       2.406100    
 H   -5.469300       1.840200       3.126200    
 H   -5.369200       3.060200       1.842700    
 H    5.661800      -3.286400       2.041900    
 H    3.722800      -3.882700      -1.745800    
 H    4.682000       3.071200      -3.331100    
 H    6.623000       3.666500      0.4560000    
 H   -5.884500      -2.338100      -2.184300    
 H    6.318700       4.294900      -1.924600    
 H   -8.392800      -1.873800      -2.643700    


%chk=000003012-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003012

0 1
S -8.636616 -0.126659 -1.088571
F 5.407491 -4.974251 -0.777593
O -4.029274 -1.840912 -0.297042
N -0.683359 0.913231 0.857660
N -6.155136 -0.873857 -0.550695
N -6.739616 1.242735 0.444358
C 0.186902 1.922197 0.204568
C -0.087729 -0.442527 0.756577
C 1.595626 1.965134 0.855933
C 1.319499 -0.469346 1.400158
C 2.234909 0.585054 0.796073
C -2.078947 0.963584 0.358399
C -3.085787 0.333558 1.360632
C 3.464295 0.323338 0.229253
C -4.491647 0.299403 0.795986
C 3.956740 -1.074216 -0.019493
C 4.411565 1.415992 -0.178552
C -5.449511 1.309585 0.989667
C -4.799861 -0.871144 -0.021559
C 5.263617 -1.461555 0.389145
C 3.161539 -2.029065 -0.713352
C 5.045847 1.385639 -1.451700
C 4.740563 2.479800 0.707186
C -7.030616 0.183483 -0.279193
C -5.207432 2.560118 1.801545
C 5.754979 -2.762096 0.149136
C 3.634000 -3.334495 -0.969936
C 5.950379 2.398110 -1.837731
C 5.651127 3.489645 0.326609
C -6.679568 -1.903510 -1.357532
C 4.922854 -3.672101 -0.525368
C 6.256833 3.457251 -0.950912
C -7.973687 -1.686669 -1.737535
H -0.291403 2.914372 0.307152
H 0.305759 1.717436 -0.891603
H -0.742634 -1.166370 1.271490
H -0.013886 -0.768528 -0.314613
H 2.204217 2.725032 0.338909
H 1.468184 2.283438 1.910319
H 1.191979 -0.233173 2.477005
H 1.743992 -1.483444 1.331312
H -2.349888 2.026149 0.205248
H -2.186416 0.451957 -0.629915
H -3.036476 0.890873 2.310834
H -2.779823 -0.707021 1.566770
H 5.899062 -0.734549 0.905721
H 2.169878 -1.737159 -1.075231
H 4.820084 0.564341 -2.141499
H 4.294526 2.495551 1.708299
H -4.151592 2.693908 2.077820
H -5.813814 2.531100 2.726261
H -5.546228 3.440703 1.228551
H 6.754741 -3.067888 0.470877
H 3.028318 -4.069800 -1.507496
H 6.418472 2.359969 -2.828025
H 5.894373 4.295024 1.029039
H -6.032872 -2.746899 -1.595641
H 6.964332 4.239535 -1.247847
H -8.603466 -2.323210 -2.353257


