%chk=000106391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106391

1 1
 S    1.327300      -4.904900      0.4803000    
 O    1.000400       2.146500      0.7923000    
 O    5.203900       1.484000     -2.1900000E-02
 O    1.406800      -6.121200     -0.6036000    
 O   6.7000002E-02  -4.997800       1.194500    
 O    2.594300      -4.824800       1.184300    
 N   0.6524000      0.1729000     -0.2784000    
 C   0.9028000      -1.073400     -0.9410000    
 C  -0.5776000      0.7346000     -1.3200000E-02
 C   0.9684000      -2.250600      2.7899999E-02
 C    1.526500       1.026500      0.2061000    
 C  -0.3619000       1.947500      0.6448000    
 C    1.233800      -3.573600     -0.6749000    
 C   -1.867100      0.2874000     -0.2916000    
 C   -2.921400       1.114900      0.1215000    
 C   -1.389900       2.782100       1.062800    
 C    2.919300      0.7994000      0.1252000    
 C   -2.687000       2.331700      0.7822000    
 C   -4.285200      0.7025000     -0.1396000    
 C    3.851800       1.772400     -6.8999999E-03
 C    3.495800       3.234900     -8.3200000E-02
 C   -4.971300     -6.6699997E-02  0.7991000    
 C   -4.909800       1.075900      -1.328700    
 C    3.458900       3.884400       1.292800    
 C   -6.284700     -0.4636000      0.5481000    
 C   -6.223300      0.6791000      -1.579600    
 C    5.648100       1.243500      -1.341900    
 C   -6.910700     -9.0700001E-02 -0.6411000    
 C    7.132400      0.9469000      -1.316200    
 H    1.828600      -1.006900      -1.524900    
 H   0.1098000      -1.247300      -1.678800    
 H   2.6200000E-02  -2.308700      0.5871000    
 H    1.747700      -2.067800      0.7775000    
 H    2.178700      -3.544600      -1.226300    
 H   0.4206000      -3.798600      -1.372600    
 H   -2.048800     -0.6541000     -0.7994000    
 H   -1.204800       3.719600       1.571800    
 H    3.273200     -0.2274000      0.1690000    
 H   -3.524600       2.955200       1.092400    
 H    2.550500       3.400300     -0.6111000    
 H    4.245800       3.756000     -0.6915000    
 H   -4.498000     -0.3659000       1.731300    
 H   -4.388200       1.675800      -2.070800    
 H    4.452000       3.865900       1.755400    
 H    2.767300       3.389000       1.979300    
 H    3.154300       4.932400       1.204300    
 H   0.5715000      -6.308800      -1.093000    
 H   -6.820000      -1.063000       1.278700    
 H   -6.711000      0.9693000      -2.505700    
 H    5.469900       2.120000      -1.976800    
 H    5.120400      0.3840000      -1.774100    
 H   -7.933400     -0.3997000     -0.8365000    
 H    7.510400      0.7539000      -2.324200    
 H    7.686500       1.788200     -0.8867000    
 H    7.340800      7.4400000E-02 -0.6881000    


%chk=000106391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106391

1 1
S 1.523170 -4.725530 1.008358
O 0.904387 2.218173 -0.205033
O 5.095084 1.145250 -0.855063
O 1.927816 -6.197575 -0.033053
O 0.247451 -5.017691 1.956283
O 2.861784 -4.065228 1.632568
N 0.417198 0.106671 -0.841666
C 0.576153 -1.298747 -1.270419
C -0.824294 0.725994 -0.519455
C 0.837175 -2.232997 -0.061574
C 1.441713 1.006325 -0.633978
C -0.515124 2.048365 -0.137355
C 0.990612 -3.685875 -0.520863
C -2.149893 0.267999 -0.546655
C -3.171959 1.186637 -0.170917
C -1.481777 2.982334 0.233899
C 2.822097 0.779098 -0.804796
C -2.816952 2.521141 0.211117
C -4.599205 0.760812 -0.167460
C 3.865015 1.699878 -0.636445
C 3.728634 3.143455 -0.215623
C -4.963102 -0.564375 0.199790
C -5.627987 1.671607 -0.535107
C 3.754808 3.303341 1.336031
C -6.314692 -0.966955 0.199427
C -6.979171 1.267522 -0.538054
C 6.369794 1.947306 -0.774816
C -7.328467 -0.052785 -0.170913
C 7.510975 0.944905 -0.879001
H 1.402647 -1.355379 -2.000580
H -0.345792 -1.587864 -1.803524
H 0.003687 -2.148748 0.660071
H 1.760637 -1.915255 0.459116
H 1.812305 -3.854282 -1.234504
H 0.063019 -4.173783 -0.856737
H -2.410807 -0.743476 -0.870294
H -1.226769 4.000189 0.536712
H 3.124461 -0.232431 -1.090088
H -3.610204 3.203733 0.528843
H 2.775880 3.543050 -0.595979
H 4.539485 3.744090 -0.663339
H -4.194253 -1.272099 0.531997
H -5.372205 2.688298 -0.854774
H 4.682766 2.902346 1.779749
H 2.899954 2.784050 1.800300
H 3.688331 4.373527 1.594188
H 2.165009 -6.967767 0.559914
H -6.578744 -1.986123 0.500203
H -7.757774 1.978207 -0.833827
H 6.384428 2.495675 0.183628
H 6.369433 2.662487 -1.617802
H -8.377958 -0.364680 -0.170481
H 8.473918 1.484679 -0.838629
H 7.485127 0.223102 -0.046228
H 7.467573 0.390400 -1.830762


