%chk=000129747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129747

0 1
 S   -2.875700     -0.6354000      0.6100000    
 F    5.086300       2.086100      0.3579000    
 F    4.525200      0.5381000      -1.053800    
 F    3.167300       2.190200     -0.6594000    
 O   0.1638000       2.206700      -1.481600    
 O   -2.288700      0.3026000       1.557200    
 O   -2.821600      -2.065200      0.8823000    
 O  -0.1105000       1.946900      0.8024000    
 N  -0.4813000      -2.068800      -1.206600    
 N    4.268900      -2.831300      -1.355900    
 N   -7.246800      0.5160000      0.1808000    
 C    1.732500     -0.4191000     -0.5768000    
 C   0.2865000      8.7300003E-02 -0.6126000    
 C  -0.7402000     -0.7419000     -0.9062000    
 C    1.881800      -1.874500      -1.054000    
 C    2.296500     -0.2772000      0.8086000    
 C   -2.192500     -0.3531000     -0.9797000    
 C   0.7831000      -2.619300      -1.321800    
 C    3.386300      0.5515000       1.049400    
 C   8.6599998E-02   1.516100     -0.3186000    
 C    1.706700     -0.9921000       1.845200    
 C   0.8101000      -4.057100      -1.771500    
 C   -4.580700     -0.1862000      0.4426000    
 C    3.893200      0.6671000       2.343700    
 C    4.030600       1.324800     -5.3900000E-02
 C    2.213700     -0.8764000       3.139500    
 C    3.199400      -2.402700      -1.220600    
 C    3.306900     -4.6999998E-02   3.388800    
 C   -5.494300      -1.145300      6.3900001E-02
 C   -4.961200       1.113700      0.6944000    
 C  -1.0900000E-02   3.622000      -1.359400    
 C   -6.815300     -0.7437000     -5.2800000E-02
 C   -6.306000       1.414300      0.5494000    
 C   0.1006000       4.253000      -2.731000    
 H    2.264300      0.1818000      -1.321500    
 H   -2.737500     -0.9505000      -1.717000    
 H   -2.324100      0.7037000      -1.229100    
 H   -1.272000      -2.666600      -1.419500    
 H   0.8535000      -1.643900       1.680300    
 H   0.3486000      -4.149600      -2.760700    
 H    1.816100      -4.479200      -1.838300    
 H   0.2434000      -4.679300      -1.069900    
 H    4.743900       1.307300       2.560300    
 H    1.756800      -1.431800       3.953400    
 H    3.701400      4.3000001E-02   4.396700    
 H   -5.217600      -2.171400     -0.1460000    
 H   -4.260200       1.886800      0.9854000    
 H   0.7636000       4.029700     -0.7001000    
 H  -0.9986000       3.832400     -0.9340000    
 H   -7.585800      -1.447900     -0.3490000    
 H   -6.673100       2.419200      0.7301000    
 H  -2.8400000E-02   5.337400      -2.674400    
 H    1.076900       4.035400      -3.176400    
 H  -0.6561000       3.841300      -3.407000    


%chk=000129747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129747

0 1
S -2.831996 -0.962409 0.169107
F 6.091216 0.704114 0.975947
F 4.979684 -0.005115 -0.856565
F 4.696625 2.112110 -0.106336
O -0.497464 2.225598 -1.454786
O -2.120341 -0.506270 1.566774
O -3.009429 -2.561602 -0.222748
O 1.805983 2.274232 -1.140045
N -0.249137 -2.083866 -1.156164
N 4.472964 -3.182067 -1.070214
N -7.103452 0.975411 0.021405
C 2.104243 -0.454528 -0.716714
C 0.721206 0.130629 -1.058848
C -0.387877 -0.692532 -1.198329
C 2.141037 -1.973716 -0.988016
C 2.451597 -0.178785 0.770592
C -1.795745 -0.241629 -1.385438
C 0.991742 -2.727956 -1.115448
C 3.704857 0.321986 1.233563
C 0.745371 1.600931 -1.212317
C 1.460458 -0.479777 1.741023
C 0.942357 -4.230191 -1.248360
C -4.557044 -0.164379 0.087558
C 3.934503 0.498948 2.622727
C 4.828436 0.763282 0.324557
C 1.690673 -0.302836 3.119637
C 3.411011 -2.627039 -1.032844
C 2.938049 0.184447 3.566123
C -5.565023 -0.817975 -0.633691
C -4.777601 1.024724 0.796820
C -0.438388 3.713844 -1.607658
C -6.838263 -0.191321 -0.635239
C -6.089360 1.560261 0.723885
C -1.868377 4.195442 -1.830964
H 2.848762 0.044919 -1.354162
H -2.334311 -0.739357 -2.206737
H -1.909417 0.847447 -1.367111
H -1.110826 -2.647236 -1.071375
H 0.478954 -0.841859 1.417740
H 0.528981 -4.529252 -2.229869
H 1.946396 -4.667535 -1.148642
H 0.294262 -4.668928 -0.465673
H 4.903951 0.877015 2.958973
H 0.897898 -0.543705 3.835645
H 3.134830 0.322748 4.634100
H -5.386448 -1.771009 -1.140592
H -3.992324 1.497454 1.394469
H 0.225194 3.946188 -2.459284
H 0.015684 4.136339 -0.693928
H -7.677948 -0.640770 -1.175396
H -6.341372 2.486332 1.250973
H -1.872967 5.293798 -1.952204
H -2.302931 3.749008 -2.742285
H -2.513484 3.944337 -0.970437


