%chk=000068690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068690

0 1
 S   -3.157000      0.1312000      -1.181600    
 F    5.301900     -0.7093000      0.6344000    
 F    3.906700      5.7999998E-02   2.106900    
 F    3.521000      -1.850600       1.138800    
 O   -2.742000      0.8784000      -2.353000    
 O   -4.564400     -7.2700001E-02 -0.8979000    
 O   -3.050200      -2.149500      0.9450000    
 N  -0.2743000       1.144400     -0.9194000    
 N   -2.352000      -1.377600      -1.159400    
 N   -2.714800       1.732800       2.456200    
 C   -2.422400      0.9249000      0.2162000    
 C   -1.106200       1.335500      0.2052000    
 C    1.111900      0.9427000      -1.055400    
 C  -0.5842000       1.954400       1.335700    
 C   -3.186900       1.135000       1.339400    
 C    1.829900      0.3017000     -4.3699998E-02
 C    3.203900      0.1031000     -0.1788000    
 C    1.774100       1.384000      -2.202900    
 C   -2.391700      -2.313800     -7.6499999E-02
 C   -1.517500      -3.526600     -0.2863000    
 C    3.862900      0.5449000      -1.326100    
 C   -1.422400       2.128000       2.425200    
 C    3.148100       1.185400      -2.338100    
 C    3.968400     -0.5829000      0.9023000    
 C  -0.1426000      -3.301300      0.3134000    
 H  -0.7627000       1.205700      -1.807500    
 H   -1.705400      -1.563500      -1.937000    
 H   0.4350000       2.321300       1.384900    
 H   -4.225600      0.8327000       1.410000    
 H    1.330400     -7.0299998E-02  0.8475000    
 H    1.228600       1.885500      -2.998500    
 H   -1.440700      -3.755500      -1.354400    
 H   -2.002600      -4.383100      0.1949000    
 H    4.932400      0.3992000      -1.449800    
 H   -1.065600       2.610200       3.329300    
 H    3.661100       1.529600      -3.231300    
 H  -0.2112000      -3.056800       1.378500    
 H   0.4740000      -4.198600      0.2047000    
 H   0.3691000      -2.472500     -0.1857000    


%chk=000068690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068690

0 1
S -2.837349 0.027125 -1.240881
F 6.099724 0.896526 0.506046
F 4.452075 1.225924 2.034615
F 4.684023 -0.792695 1.041644
O -2.011623 0.498218 -2.590191
O -4.437674 0.203550 -1.183182
O -3.304998 -2.178723 0.884925
N 0.097782 1.137741 -0.928055
N -2.368379 -1.769338 -1.200846
N -2.372554 1.458733 2.571787
C -2.024255 0.784334 0.276230
C -0.661092 1.220072 0.231869
C 1.499691 1.288730 -1.070481
C -0.198950 1.792547 1.460631
C -2.839010 0.911385 1.415535
C 2.421693 0.900877 -0.067181
C 3.808080 1.039811 -0.302170
C 1.992694 1.778356 -2.312854
C -2.760510 -2.620060 -0.161410
C -2.468136 -4.103523 -0.425784
C 4.302084 1.535261 -1.528194
C -1.067220 1.884341 2.559806
C 3.377721 1.893256 -2.535194
C 4.749082 0.607316 0.787453
C -2.142523 -4.862814 0.876567
H -0.452874 0.980996 -1.797835
H -1.998345 -2.091979 -2.103789
H 0.810873 2.201120 1.535647
H -3.873297 0.556102 1.403366
H 2.072175 0.461781 0.871222
H 1.282040 2.074370 -3.092626
H -1.652146 -4.215319 -1.164409
H -3.381022 -4.527367 -0.891097
H 5.378176 1.636480 -1.690340
H -0.712980 2.334091 3.493699
H 3.740746 2.274909 -3.494503
H -2.935205 -4.693864 1.623842
H -2.062825 -5.945946 0.678849
H -1.188693 -4.518325 1.312488


