%chk=000106540.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106540

0 1
 S    3.163900      -2.737100     -1.2300000E-02
 S    7.525000      0.4272000      0.1824000    
 S   -9.104800     -0.5633000     -6.6699997E-02
 O    2.647200      -3.025100      -1.533300    
 O    7.806700      0.5697000       1.786500    
 O    4.270100      -3.641800      0.2459000    
 O    2.008000      -2.696000      0.8643000    
 O    8.124500     -0.8289000     -0.2439000    
 O    7.897500       1.680800     -0.4546000    
 O   -9.465700      -2.146200     -0.2129000    
 O   -9.404600      0.1014000      -1.318200    
 O   -9.618100     -8.3400004E-02   1.199900    
 N  -0.5680000      0.9500000     -0.6016000    
 N   -6.658600      0.5122000      5.0999999E-02
 N   -1.101200      0.9911000      0.5320000    
 C    3.004300      3.3199999E-02 -0.2098000    
 C    3.607900       1.312900     -0.2389000    
 C    3.813700      -1.104800     -5.9300002E-02
 C    5.791900      0.2758000      3.2800000E-02
 C    5.003100       1.417000     -0.1165000    
 C    5.198300     -0.9827000      6.1099999E-02
 C    1.609200     -7.1099997E-02 -0.3324000    
 C    2.798500       2.450600     -0.3897000    
 C   0.8203000       1.069900     -0.4812000    
 C    1.413900       2.328400     -0.5099000    
 C   -5.258500      0.6330000      0.1726000    
 C   -7.332300     -0.7529000      7.2200000E-02
 C   -2.496300      0.8710000      0.4114000    
 C   -4.470400     -0.5083000      0.3211000    
 C   -4.662100       1.893500      0.1439000    
 C   -3.085800     -0.3889000      0.4407000    
 C   -3.277500       2.012800      0.2636000    
 H    5.464700       2.402300     -0.1308000    
 H    5.829700      -1.857100      0.1829000    
 H    1.085200      -1.018600     -0.3688000    
 H    3.240600       3.444500     -0.4151000    
 H   0.8076000       3.223100     -0.6262000    
 H   -7.154400      -1.290100       1.010000    
 H   -7.022300      -1.368600     -0.7791000    
 H   -7.195100       1.365300     -5.9300002E-02
 H    3.344800      -2.999300      -2.229700    
 H   -4.893900      -1.507900      0.3472000    
 H   -5.265100       2.790600      2.8800000E-02
 H   -2.478600      -1.282800      0.5565000    
 H   -2.820900       2.998700      0.2409000    
 H    7.529100     -0.2017000       2.334600    
 H   -9.221700      -2.559700      -1.074200    


%chk=000106540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106540

0 1
S 3.189263 -1.269172 2.644953
S 7.695064 0.151237 -0.293269
S -8.178844 -1.058582 -1.608438
O 2.522677 -2.744485 1.739014
O 7.952702 1.658972 0.756958
O 4.423677 -1.713171 3.587726
O 1.940616 -0.466296 3.289064
O 8.327700 -1.122751 0.474601
O 8.092726 0.488610 -1.823481
O -9.972720 -0.978836 -0.969788
O -7.435506 -2.300621 -0.861143
O -8.232489 -1.064929 -3.235013
N -0.602954 0.795292 -0.866599
N -6.824660 0.371408 0.598867
N -1.173643 0.326238 0.215904
C 3.007939 0.134871 0.106528
C 3.663001 0.736218 -1.051274
C 3.878924 -0.443761 1.090493
C 5.831340 0.155304 -0.127158
C 5.089385 0.737791 -1.142445
C 5.263531 -0.456482 1.018490
C 1.586792 0.145744 0.188595
C 2.858081 1.317585 -2.084916
C 0.829990 0.729804 -0.844217
C 1.471332 1.312608 -1.986881
C -5.415120 0.366084 0.432480
C -7.755073 0.765638 -0.320254
C -2.595486 0.370448 0.211137
C -4.797248 0.808441 -0.772510
C -4.617361 -0.085213 1.517607
C -3.401272 0.813480 -0.879110
C -3.219916 -0.084656 1.404580
H 5.592548 1.182087 -2.008565
H 5.879207 -0.924481 1.795230
H 1.061458 -0.281511 1.046705
H 3.354306 1.763297 -2.953345
H 0.836382 1.747648 -2.764335
H -7.445993 1.465898 -1.099964
H -8.793315 0.825091 0.020328
H -7.170647 -0.145386 1.413203
H 2.079751 -3.342942 2.409107
H -5.397183 1.123421 -1.631698
H -5.093081 -0.436372 2.440722
H -2.907598 1.141925 -1.798216
H -2.582608 -0.427369 2.225174
H 8.935732 1.751867 0.925936
H -10.501606 -1.701290 -1.412882


