%chk=000030342.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030342

0 1
 S    4.770400     -1.3800000E-02 -0.1495000    
 O   -2.625600       2.734000      0.8999000    
 O   -4.845300       2.054600     -0.6250000    
 O    5.574600     -0.5477000      0.9405000    
 O    5.163100     -0.2680000      -1.529000    
 N   -1.108600      -3.167900     -7.4199997E-02
 C  -0.9281000      -1.890100      0.6470000    
 C   -1.967900     -0.8273000      0.2920000    
 C   -3.120300      -1.173300     -0.4396000    
 C   -3.322500      -2.586500     -0.9182000    
 C   -2.506800      -3.583600     -0.1010000    
 C   0.5070000      -1.417900      0.4464000    
 C   -1.832600      0.4933000      0.7544000    
 C   -4.071100     -0.1922000     -0.7552000    
 C    3.126500     -0.5549000      7.9599999E-02
 C    1.362400      -1.326200       1.539300    
 C   0.9505000      -1.081500     -0.8286000    
 C    4.685900       1.751900      4.7899999E-02
 C   -2.791400       1.459600      0.4473000    
 C   -3.905700       1.119000     -0.3136000    
 C    2.675600     -0.8935000       1.355600    
 C    2.263800     -0.6488000      -1.012500    
 C    6.072500       2.364000     -8.5000001E-02
 C    3.715500       2.349100     -0.9605000    
 C   -1.912400       3.634100      5.4299999E-02
 C   -5.929600       2.213500      0.2879000    
 H   -1.082500      -2.104500       1.714500    
 H   -4.382600      -2.857700     -0.8471000    
 H   -3.033400      -2.640000      -1.975500    
 H   -2.900100      -3.674300      0.9193000    
 H   -2.581900      -4.573700     -0.5639000    
 H  -0.5481000      -3.889500      0.3794000    
 H  -0.9755000      0.7770000       1.360700    
 H   -4.948100     -0.4562000      -1.342100    
 H    1.024400      -1.584600       2.538900    
 H   0.2911000      -1.148000      -1.689900    
 H    4.318000       1.938500       1.063500    
 H    3.327600     -0.8207000       2.221500    
 H    2.592000     -0.3889000      -2.014900    
 H    6.037000       3.446600      7.5999998E-02
 H    6.763500       1.940400      0.6513000    
 H    6.497200       2.184000      -1.078600    
 H    3.957400       2.061400      -1.988900    
 H    3.741100       3.443600     -0.9103000    
 H    2.682400       2.056100     -0.7561000    
 H   -2.427600       3.753100     -0.9041000    
 H  -0.8905000       3.277400     -0.1099000    
 H   -1.867500       4.607500      0.5504000    
 H   -5.562300       2.513500       1.274400    
 H   -6.503600       1.284800      0.3667000    
 H   -6.586700       2.999500     -9.4300002E-02


%chk=000030342-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030342

0 1
S 4.860350 0.005986 -0.044088
O -2.617680 2.663325 1.006627
O -5.015727 1.979103 -0.543424
O 5.675295 -0.434267 1.311342
O 5.352886 -0.456265 -1.540311
N -1.163360 -3.225419 -0.205322
C -0.979579 -2.018690 0.630315
C -2.034667 -0.954080 0.264423
C -3.185412 -1.283402 -0.504814
C -3.393095 -2.689894 -1.051849
C -2.555398 -3.715251 -0.266745
C 0.455598 -1.509102 0.469745
C -1.877236 0.367779 0.745852
C -4.156635 -0.281079 -0.745690
C 3.067755 -0.574185 0.162264
C 1.244795 -1.208529 1.606537
C 1.008922 -1.352928 -0.827594
C 4.790018 2.003825 -0.038730
C -2.834746 1.364911 0.483338
C -4.008187 1.028288 -0.251620
C 2.570846 -0.737564 1.464204
C 2.329199 -0.884794 -0.993395
C 6.238497 2.456242 0.139173
C 4.105623 2.436819 -1.331422
C -2.480037 3.721905 -0.021408
C -5.713595 2.519561 0.647036
H -1.129091 -2.244288 1.719272
H -4.465807 -2.959730 -1.014221
H -3.082335 -2.724305 -2.114443
H -3.003477 -3.863980 0.746741
H -2.561815 -4.691883 -0.782364
H -0.476443 -3.954081 0.021533
H -0.989402 0.653850 1.319745
H -5.064467 -0.512285 -1.314503
H 0.828356 -1.356724 2.610341
H 0.397646 -1.623606 -1.693997
H 4.179555 2.182645 0.864240
H 3.212348 -0.541486 2.329875
H 2.793304 -0.790198 -1.981077
H 6.262153 3.553242 0.280342
H 6.698674 1.979443 1.021833
H 6.841960 2.208588 -0.751916
H 4.645132 2.030137 -2.205523
H 4.121724 3.541040 -1.398313
H 3.052757 2.107987 -1.379273
H -3.370823 3.758350 -0.674235
H -1.575242 3.541002 -0.632512
H -2.372108 4.663098 0.539105
H -4.998058 2.984375 1.349063
H -6.269642 1.711296 1.159045
H -6.418128 3.270417 0.257999


