%chk=000051416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051416

0 1
 S    5.074300      -1.079000      0.1927000    
 O    6.297200      -1.728900      0.6260000    
 O    4.849000     -0.7930000      -1.210300    
 O   0.4139000      -2.074500      -2.620400    
 N    3.737400      -1.927200      0.8704000    
 N   -1.427200     -0.6955000     -0.9996000    
 N   -4.634700       1.301700      0.7831000    
 N   -3.886200       3.331500     -2.6799999E-02
 C    4.959900      0.4543000       1.087400    
 C    6.057600       1.421500      0.6720000    
 C    5.970000       2.729700       1.455500    
 C   -2.520700     -2.3800001E-02 -0.3904000    
 C    2.428500      -1.615800      0.3927000    
 C   -3.462300     -0.7497000      0.3400000    
 C  -0.1388000      -1.006800     -0.5441000    
 C   -2.648600       1.362900     -0.5257000    
 C   0.7683000      -1.692900      -1.360700    
 C    2.047200      -1.996300     -0.8940000    
 C   -4.520600     -3.4800000E-02  0.9194000    
 C    1.531000     -0.9318000       1.212600    
 C   0.2520000     -0.6285000      0.7459000    
 C    7.041500       3.714900       1.016700    
 C   -3.734200       2.005100      8.2999997E-02
 C   -3.368800      -2.143600      0.4987000    
 C   -1.720900       2.123500      -1.252600    
 C   -5.467300     -0.7474000       1.651000    
 C   -4.327800      -2.832700       1.234700    
 C   -5.379400      -2.132500       1.812100    
 C   -1.884300       3.493500      -1.362000    
 C   -2.978400       4.045300     -0.7334000    
 C   0.6728000      -1.149200      -3.674000    
 H    5.032400      0.2191000       2.154100    
 H    3.978400      0.8903000      0.8787000    
 H    7.040800      0.9628000      0.8327000    
 H    5.981100       1.629700     -0.4022000    
 H    6.080700       2.529700       2.527700    
 H    4.983600       3.185600       1.310500    
 H    3.785400      -2.076100       1.887400    
 H   -1.644300      -1.035900      -1.931600    
 H    2.736200      -2.541700      -1.534500    
 H    1.817900     -0.6294000       2.216500    
 H  -0.4245000     -9.4400004E-02   1.408000    
 H    6.936500       3.962000     -4.4599999E-02
 H    6.961100       4.643000       1.591000    
 H    8.042700       3.302200       1.176300    
 H   -2.561200      -2.720700      5.5799998E-02
 H  -0.8646000       1.673200      -1.746900    
 H   -6.300800     -0.2214000       2.113100    
 H   -4.255300      -3.909100       1.355800    
 H   -6.133800      -2.660100       2.388400    
 H   -1.183200       4.103600      -1.918200    
 H   -3.167700       5.112600     -0.7785000    
 H   0.1491000     -0.2039000      -3.500700    
 H   0.3081000      -1.583900      -4.608600    
 H    1.748400     -0.9695000      -3.768200    


%chk=000051416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051416

0 1
S 5.304811 -0.900522 0.744748
O 6.660256 -1.338230 1.533394
O 5.144045 -1.166751 -0.857439
O 0.476634 -2.005221 -2.051348
N 3.729184 -1.932277 1.624746
N -1.328805 -0.749463 -0.627419
N -4.881032 1.287449 0.714449
N -3.675294 3.186462 1.341857
C 5.068843 1.034336 1.007073
C 5.996749 1.797554 0.062395
C 5.817230 3.330639 0.223520
C -2.472544 -0.069831 -0.151985
C 2.469013 -1.554603 1.117684
C -3.744750 -0.723447 -0.237667
C -0.089661 -0.945869 0.001242
C -2.421366 1.275319 0.335266
C 0.906167 -1.649728 -0.761216
C 2.154272 -1.962651 -0.216080
C -4.925561 0.023677 0.183142
C 1.494497 -0.835004 1.872050
C 0.222801 -0.569053 1.333600
C 6.750138 4.115508 -0.724626
C -3.663578 1.896199 0.802617
C -3.909141 -2.076937 -0.694975
C -1.236945 2.090503 0.312597
C -6.218078 -0.598174 0.066548
C -5.176928 -2.648201 -0.786085
C -6.343963 -1.897762 -0.414821
C -1.285967 3.387797 0.809199
C -2.527763 3.877240 1.346731
C 1.424477 -2.736168 -2.904264
H 5.305474 1.164493 2.076210
H 3.996989 1.197765 0.803502
H 7.048939 1.524885 0.271467
H 5.782184 1.504477 -0.982598
H 6.023630 3.621646 1.272873
H 4.762500 3.604028 0.018692
H 3.858336 -1.691850 2.628908
H -1.430634 -1.292043 -1.492158
H 2.913731 -2.512581 -0.775744
H 1.724324 -0.520469 2.897361
H -0.532516 -0.067123 1.944212
H 6.545797 3.863258 -1.781497
H 6.614946 5.205474 -0.603187
H 7.811140 3.880779 -0.521176
H -3.028429 -2.678000 -0.947436
H -0.310372 1.689566 -0.107374
H -7.081750 -0.004388 0.379963
H -5.286908 -3.682467 -1.129552
H -7.332807 -2.361682 -0.496947
H -0.406261 4.038399 0.794587
H -2.574603 4.882395 1.784772
H 2.349838 -2.149833 -3.051241
H 0.904969 -2.871968 -3.863618
H 1.671142 -3.719848 -2.463053


