%chk=000107924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107924

0 1
 S   -6.169800       1.300000       1.522500    
 O   -2.855400      -1.050500      -2.828800    
 O    5.051700       1.189700       1.413100    
 O   -7.381300       1.153100       2.307600    
 O   -5.053900       2.075000       2.027400    
 N  -0.5337000     -0.7664000      -1.263900    
 N    3.306000     -0.4778000      0.3914000    
 N   -5.654900     -0.2643000       1.018200    
 N    5.514200       2.963400     -7.1000000E-03
 C   0.7682000     -0.6686000     -0.7023000    
 C    1.391800      -1.812600     -0.1941000    
 C    1.414700      0.5709000     -0.6631000    
 C    2.678800      -1.669300      0.3512000    
 C    2.700800      0.6210000     -9.9500000E-02
 C    3.305000      -2.804500      0.8588000    
 C    3.349700       1.852200     -5.7500001E-02
 C   0.7654000      -3.070900     -0.2204000    
 C   0.8116000       1.736800      -1.166300    
 C   -1.813100     -0.6432000     -0.7061000    
 C    2.685500      -4.056500      0.8341000    
 C    1.413000      -4.190400      0.2936000    
 C    2.753200       3.012800     -0.5567000    
 C    1.481600       2.955300      -1.112300    
 C   -2.960700     -0.7869000      -1.495500    
 C    4.676800      -2.710600       1.451600    
 C   -1.952400     -0.3727000      0.6606000    
 C   -4.357800     -0.3923000      0.4357000    
 C    4.686200       1.967000      0.5169000    
 C   -4.228100     -0.6620000     -0.9267000    
 C   -3.219900     -0.2476000       1.229400    
 C   -6.651000       1.992600     -4.3800000E-02
 C    6.870400       3.186700      0.4397000    
 C   -2.792600      7.0699997E-02  -3.707400    
 H  -0.5191000     -0.9986000      -2.252600    
 H  -0.2272000      -3.211800     -0.6401000    
 H  -0.1806000       1.727100      -1.609800    
 H    3.184500      -4.935600       1.233100    
 H   0.9275000      -5.161200      0.2710000    
 H    3.230800       3.986600     -0.4991000    
 H    1.010000       3.855100      -1.495200    
 H    5.040700      -3.682300       1.802700    
 H    5.390200      -2.344800      0.7054000    
 H    4.674300      -2.032100       2.311200    
 H   -1.085000     -0.2576000       1.305400    
 H   -5.112900     -0.7751000      -1.549000    
 H   -3.304500     -5.0200000E-02   2.294800    
 H   -6.377200     -0.8337000      0.5570000    
 H    5.209400       3.512400     -0.8039000    
 H   -7.409300       1.352300     -0.4985000    
 H   -7.069500       2.984200      0.1424000    
 H   -5.772700       2.080500     -0.6854000    
 H    7.111500       4.243200      0.3025000    
 H    7.538100       2.573300     -0.1702000    
 H    6.977300       2.910400       1.491600    
 H   -1.932700      0.7048000      -3.470000    
 H   -3.716400      0.6548000      -3.647400    
 H   -2.680300     -0.3011000      -4.729400    


%chk=000107924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107924

0 1
S -6.278907 2.162552 1.115969
O -2.710539 -1.638762 -2.441266
O 4.641343 3.874833 1.222529
O -7.906158 2.147814 1.190832
O -5.376529 2.915420 2.236371
N -0.588173 -0.868569 -1.115158
N 3.424062 -0.090476 0.126985
N -5.691191 0.198146 1.111811
N 5.265649 1.629362 1.032604
C 0.722299 -0.577188 -0.673622
C 1.658833 -1.660582 -0.598598
C 1.154605 0.758448 -0.381782
C 3.027425 -1.354737 -0.212161
C 2.535050 0.953083 0.060532
C 4.016311 -2.415047 -0.157861
C 2.983800 2.295589 0.399870
C 1.297521 -3.026797 -0.861883
C 0.313265 1.906214 -0.574765
C -1.820497 -0.527564 -0.536517
C 3.617925 -3.718051 -0.462560
C 2.260342 -4.030104 -0.800634
C 2.100518 3.366189 0.237153
C 0.778913 3.181692 -0.270779
C -2.995906 -0.947557 -1.247882
C 5.442234 -2.090110 0.229422
C -1.986015 0.120408 0.716499
C -4.431461 -0.036166 0.518492
C 4.368212 2.663715 0.920416
C -4.279147 -0.678105 -0.752693
C -3.267452 0.356737 1.240691
C -5.764757 2.934199 -0.582686
C 6.628625 1.837462 1.520266
C -3.837087 -2.158364 -3.221150
H -0.677426 -1.541589 -1.883897
H 0.256598 -3.288264 -1.079581
H -0.694995 1.773012 -0.974458
H 4.357474 -4.526222 -0.424904
H 1.981496 -5.071092 -0.995996
H 2.476117 4.360702 0.501246
H 0.133329 4.052602 -0.423852
H 6.077086 -2.991415 0.198877
H 5.876555 -1.332288 -0.448435
H 5.489324 -1.667135 1.250391
H -1.104444 0.413644 1.292400
H -5.170537 -0.979516 -1.313954
H -3.395351 0.829159 2.218654
H -6.486306 -0.230496 0.596185
H 4.897717 0.696567 0.739145
H -6.387961 2.455639 -1.350169
H -5.979808 4.006622 -0.476517
H -4.692146 2.734302 -0.708206
H 7.374258 1.510870 0.770565
H 6.808712 1.279679 2.459430
H 6.765478 2.913442 1.715945
H -4.480295 -1.333702 -3.582555
H -4.437397 -2.870722 -2.623859
H -3.383691 -2.676782 -4.078097


