%chk=000121963.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121963

0 1
 S    2.981600      -1.669400      0.5436000    
 O    4.302900       1.727800      -1.185400    
 O    3.968200      -2.567100     -3.0900000E-02
 O    3.065900      -1.310500       1.947500    
 O    1.998600       2.779900      0.7599000    
 O  -0.7350000       1.222500       2.020100    
 O   -1.387800      -2.795300     -0.4860000    
 O   -4.251900       2.657100       1.397300    
 O   -3.934600      0.6170000      0.4311000    
 O   -3.400500      -3.430400      0.4539000    
 N    1.708500      0.4982000      0.2301000    
 N   -1.386600       1.367000     -0.1992000    
 C    2.805200     -0.2012000     -0.4182000    
 C    3.665200       1.036400     -0.1015000    
 C   0.4844000     -3.5900000E-02  0.4816000    
 C    2.336900       1.688300      0.3656000    
 C    1.375100      -2.397700      0.2849000    
 C   0.2701000      -1.371900      0.4685000    
 C  -0.5957000      0.9052000      0.8390000    
 C   -2.378900       2.416800     -8.9999998E-04
 C   -1.266100       1.024300      -1.616300    
 C   -2.667700       2.949200      -1.399000    
 C   -2.424700       1.738900      -2.295900    
 C   -1.077100      -2.026500      0.6569000    
 C   -3.587500       1.774800      0.6116000    
 C    5.506000       1.082500      -1.561700    
 C   -2.590200      -3.455100     -0.4627000    
 C   -2.784400      -4.224900      -1.733800    
 H    2.628900     -0.3914000      -1.482600    
 H    4.353000      0.9134000      0.7466000    
 H    1.288300      -3.212900       1.010400    
 H    1.353400      -2.810900     -0.7281000    
 H   -1.977800       3.178600      0.6762000    
 H   -1.298400     -5.8899999E-02  -1.760200    
 H  -0.3019000       1.402300      -1.973400    
 H   -1.947600       3.737000      -1.651900    
 H   -3.677000       3.355200      -1.516000    
 H   -3.311900       1.094700      -2.302600    
 H   -2.199600       2.013600      -3.330300    
 H   -1.872900      -1.294200      0.8229000    
 H   -1.037800      -2.676200       1.540400    
 H    5.311000      5.4200001E-02  -1.880900    
 H    6.221200       1.089400     -0.7334000    
 H    5.943300       1.629200      -2.401600    
 H   -5.047800       2.255800       1.806800    
 H   -1.988500      -4.965800      -1.842700    
 H   -2.790700      -3.538400      -2.584200    
 H   -3.744900      -4.746900      -1.699300    


%chk=000121963-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121963

0 1
S 2.218164 -2.363225 -0.203143
O 3.630607 1.349756 -1.395647
O 1.707893 -3.311943 -1.433245
O 3.733615 -2.527920 0.401296
O 2.020027 2.264145 1.266607
O -2.212779 0.707802 1.668651
O -1.708879 -3.084795 -0.183307
O -4.763436 2.975121 0.476070
O -4.047783 1.295797 -0.965522
O -0.898798 -4.921437 1.013652
N 1.095484 0.224200 0.268299
N -1.336567 1.870383 -0.130915
C 1.945184 -0.446823 -0.713039
C 3.119692 0.520063 -0.353638
C -0.196180 -0.179372 0.691614
C 2.073222 1.243416 0.577228
C 0.892182 -2.293756 1.363618
C -0.330034 -1.512910 1.051321
C -1.315678 0.821619 0.764830
C -2.403726 2.885391 0.023267
C -0.589269 2.024656 -1.415103
C -2.066891 3.923366 -1.084372
C -1.438868 3.052305 -2.201078
C -1.657162 -2.241691 1.062095
C -3.785472 2.257561 -0.213770
C 4.903636 0.873445 -1.971733
C -1.275505 -4.420810 -0.071227
C -1.288295 -5.091929 -1.419776
H 1.566626 -0.507954 -1.744173
H 3.910722 -0.001936 0.225715
H 1.578661 -1.785627 2.059341
H 0.723193 -3.349492 1.617173
H -2.397761 3.312506 1.038344
H -0.511004 1.056573 -1.939235
H 0.426241 2.420651 -1.230409
H -1.330047 4.643813 -0.686953
H -2.955521 4.485020 -1.414121
H -2.229156 2.534326 -2.771266
H -0.824309 3.638835 -2.903209
H -2.509765 -1.556777 0.979672
H -1.763128 -2.900500 1.940594
H 4.772997 -0.097170 -2.487710
H 5.676934 0.773485 -1.186051
H 5.202991 1.645461 -2.695465
H -5.657012 2.571284 0.304577
H -0.344441 -4.826762 -1.933188
H -2.128584 -4.736399 -2.035794
H -1.329819 -6.183950 -1.294674


