%chk=000125851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125851

0 1
 I   0.9393000       1.114900       3.189100    
 I    1.547800       2.246900      -2.777200    
 I   -1.577400      -2.752400     -0.9135000    
 S   -5.392200     -0.8751000      0.3272000    
 O   0.2925000       2.180500      0.2041000    
 O   -4.214400     -0.8269000     -0.8175000    
 O    6.415200      -2.524400     -0.1156000    
 O    4.149500      -2.548800     -0.2570000    
 O   -6.485900      -1.923700     -0.2803000    
 O   -4.847800      -1.452500       1.542300    
 O   -6.020800      0.4326000      0.3652000    
 C    3.970400      0.2456000      0.2116000    
 C    1.501000       1.544000      0.2065000    
 C    5.290000     -0.4494000      0.2142000    
 C    3.232900      0.3464000       1.391200    
 C    3.473300      0.7941000     -0.9705000    
 C    1.998300      0.9956000       1.388700    
 C    2.238600       1.443300     -0.9733000    
 C  -0.8309000       1.417300     -5.4299999E-02
 C  -0.6871000      6.1500002E-02 -0.2942000    
 C   -2.073800       2.026800     -6.5300003E-02
 C   -3.081400     -0.1106000     -0.5677000    
 C   -1.821100     -0.7084000     -0.5530000    
 C   -3.207700       1.256900     -0.3240000    
 C    5.191600      -1.934000     -7.6700002E-02
 H    5.949200      3.3000000E-03 -0.5364000    
 H    5.776300     -0.3244000       1.189200    
 H    3.629000     -8.7099999E-02   2.306900    
 H    4.055700      0.7077000      -1.885300    
 H   0.2692000     -0.4496000     -0.2938000    
 H   -2.172200       3.092900      0.1154000    
 H   -4.164800       1.764300     -0.3703000    
 H    6.351200      -3.485200     -0.3033000    
 H   -6.723600      -1.782700      -1.226800    


%chk=000125851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125851

0 1
I 0.784779 1.125553 3.089046
I 1.659793 1.801888 -2.976051
I -2.107108 -3.052363 -0.759962
S -5.929874 -0.976629 0.818682
O 0.256627 1.920192 -0.037164
O -4.484392 -0.838491 -0.938763
O 6.817663 -2.340576 0.235237
O 5.384758 -1.787063 -1.506118
O -7.232510 -0.870977 -0.487503
O -6.361058 -2.228431 1.749581
O -5.736305 0.475791 1.528996
C 4.141787 0.227339 0.337944
C 1.523183 1.290665 0.079226
C 5.549985 -0.322950 0.501308
C 3.310306 0.366251 1.474704
C 3.658315 0.631603 -0.932061
C 2.008902 0.897963 1.349331
C 2.359611 1.163615 -1.057521
C -0.896027 1.156517 -0.250673
C -0.870716 -0.257582 -0.390511
C -2.107137 1.900616 -0.313563
C -3.338177 -0.215379 -0.691136
C -2.079346 -0.935600 -0.590394
C -3.304371 1.223123 -0.522844
C 5.859445 -1.529971 -0.380737
H 6.295803 0.453346 0.232490
H 5.755306 -0.597424 1.548333
H 3.675453 0.062585 2.460090
H 4.288504 0.513229 -1.816387
H 0.076627 -0.799903 -0.335739
H -2.067637 2.985502 -0.186792
H -4.260140 1.753354 -0.556982
H 7.046781 -3.103651 -0.362818
H -6.708931 -0.652741 -1.315647


