%chk=000117049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117049

0 1
 S    2.557200       2.311500     -0.5336000    
 S    2.146500      -2.915700      0.9190000    
 F    3.645800      -3.415900       1.078000    
 O    3.067000       2.980600      -1.715900    
 O    3.319600       2.347100      0.6996000    
 O   -3.656100     -0.7501000       1.656400    
 O    1.821700      -2.279700       2.181000    
 O    1.414800      -4.061000      0.4136000    
 O   -4.303800      -1.242900      -2.318800    
 O   -5.448500      -1.012500     -0.3688000    
 N   0.9454000       2.839700     -0.2483000    
 C  -0.9995000       1.381100      0.2388000    
 C   0.1306000       2.096200      0.6675000    
 C   -1.766600      0.6651000       1.188400    
 C    2.314800      0.6135000     -0.9699000    
 C   0.4991000       2.105200       2.013100    
 C   -2.896600     -5.0299998E-02  0.7596000    
 C   -1.384900       1.360800      -1.111500    
 C   -1.381100      0.6852000       2.538700    
 C   -3.264800     -5.9599999E-02 -0.5860000    
 C    2.325000     -0.3466000      2.5599999E-02
 C  -0.2554000       1.401100       2.946900    
 C   -2.510500      0.6447000      -1.519800    
 C    2.133500      -1.684500     -0.3189000    
 C    2.119500      0.2812000      -2.298400    
 C    1.934900      -2.039500      -1.653100    
 C    1.928000      -1.056700      -2.642900    
 C   -4.435800     -0.7978000      -1.040200    
 H   0.4576000       3.293900      -1.029400    
 H    1.357800       2.672800       2.360100    
 H  -0.8277000       1.890400      -1.879400    
 H   -1.921900      0.1413000       3.307900    
 H    2.490300     -6.9700003E-02   1.061800    
 H   3.1800002E-02   1.409600       3.994300    
 H   -2.778000      0.6666000      -2.573100    
 H    2.101600       1.031900      -3.082000    
 H    1.790400      -3.075400      -1.946400    
 H    1.772500      -1.333000      -3.681600    
 H   -3.649500     -0.3038000       2.517800    
 H   -5.096500      -1.738000      -2.616900    


%chk=000117049-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117049

0 1
S 2.734907 2.323831 -0.546305
S 0.983104 -2.889818 0.878553
F 2.534303 -3.214422 1.832743
O 3.806593 2.846380 -1.678066
O 3.163567 2.157651 1.041233
O -2.568080 -1.470776 1.509503
O 0.028338 -2.108122 1.930676
O 0.518194 -4.263978 0.193835
O -4.499775 -0.998464 -2.251994
O -4.725223 -2.035361 -0.187052
N 0.643296 3.512222 -0.235381
C -1.087811 1.726025 0.225736
C -0.022475 2.665689 0.616011
C -1.449958 0.681432 1.150204
C 2.360704 0.492117 -1.028340
C 0.465001 2.646884 1.966802
C -2.383819 -0.347631 0.735944
C -1.770917 1.811824 -1.016632
C -0.899051 0.682008 2.472260
C -3.104598 -0.201675 -0.479636
C 1.928614 -0.366501 -0.003445
C 0.015601 1.671833 2.880560
C -2.777918 0.892367 -1.336689
C 1.658150 -1.680615 -0.412035
C 2.552930 0.079137 -2.358291
C 1.820830 -2.173454 -1.717763
C 2.286728 -1.268346 -2.700515
C -4.157630 -1.171570 -0.888299
H 0.292105 3.466328 -1.217849
H 1.211423 3.393787 2.245525
H -1.549915 2.621920 -1.719989
H -1.234495 -0.066300 3.197259
H 1.845478 -0.019713 1.033023
H 0.393602 1.673181 3.906704
H -3.327105 0.977559 -2.277368
H 2.932664 0.792377 -3.097960
H 1.593211 -3.216280 -1.960082
H 2.442017 -1.617449 -3.725823
H -1.700272 -1.773427 1.927298
H -5.224120 -1.643849 -2.471154


