%chk=000100090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100090

0 1
 S   -6.791200     -0.5265000       1.669500    
 O   -1.039800      -1.620900       1.421100    
 O    2.848600     -0.5135000     -0.1027000    
 O   -3.607600      -2.089600      -2.500700    
 O   -4.698300      -3.779200      -1.467100    
 O    1.260900     -0.8359000      -1.730500    
 N   -2.525800      -1.133300     -0.2959000    
 N   0.7375000      0.1399000      0.3088000    
 C  -0.6678000      0.3637000      8.0200002E-02
 C   -1.201300       1.559000      0.8783000    
 C   -3.425600      -2.245700     -9.1899998E-02
 C   -1.399000     -0.9116000      0.4836000    
 C   -4.528700      -1.903800      0.9191000    
 C  -0.8663000       2.884200      0.2385000    
 C   -5.533600     -0.8709000      0.4040000    
 C   -3.992000      -2.779000      -1.399700    
 C   -1.743200       3.454900     -0.6841000    
 C   0.3206000       3.538300      0.5694000    
 C    1.583900     -0.4409000     -0.6150000    
 C   -1.433300       4.679600      -1.275600    
 C   0.6303000       4.763000     -2.1900000E-02
 C  -0.2464000       5.333600     -0.9445000    
 C    3.836600      -1.098000     -0.9588000    
 C    5.159000      -1.101200     -0.2499000    
 C   -5.848400      0.6557000       2.659300    
 C    6.021600     -1.2400000E-02 -0.3778000    
 C    5.525800      -2.192700      0.5376000    
 C    7.250900     -1.5100000E-02  0.2813000    
 C    6.755100      -2.195200       1.196800    
 C    7.617500      -1.106400       1.068600    
 H  -0.8128000      0.5233000     -0.9962000    
 H  -0.8221000       1.540600       1.909100    
 H   -2.293500       1.490800      0.9766000    
 H   -2.822300      -3.064100      0.3221000    
 H   -4.057200      -1.550000       1.844100    
 H   -5.065800      -2.828400       1.169900    
 H   -2.757600     -0.4699000      -1.029600    
 H    1.125000      0.3761000       1.217600    
 H   -5.042600      6.0500000E-02  0.1047000    
 H   -6.059400      -1.259500     -0.4738000    
 H   -2.669600       2.953600     -0.9519000    
 H    1.012100       3.104600       1.286900    
 H   -2.115600       5.123700      -1.994500    
 H    1.554400       5.272100      0.2357000    
 H  -5.1000002E-03   6.287000      -1.405200    
 H    3.907500     -0.5216000      -1.889600    
 H    3.543100      -2.123200      -1.216800    
 H   -3.973500      -2.478800      -3.323300    
 H   -4.972100      0.1815000       3.107500    
 H   -5.535500       1.506300       2.047900    
 H   -6.483700       1.029600       3.466900    
 H    5.746100      0.8447000     -0.9866000    
 H    4.861500      -3.045900      0.6470000    
 H    7.922300      0.8329000      0.1822000    
 H    7.040600      -3.044600       1.810400    
 H    8.574500      -1.108300       1.582200    


%chk=000100090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100090

0 1
S -5.945602 -2.296068 -0.008301
O -1.769930 0.016269 2.473485
O 2.573913 1.003247 -0.625900
O -0.686290 -3.003447 -1.173582
O -1.286404 -4.657687 0.342027
O 0.554228 0.118393 -1.476460
N -1.338088 -0.985042 0.416463
N 0.619917 1.401633 0.474052
C -0.846516 1.429692 0.648597
C -1.266563 2.624496 1.536908
C -1.746448 -2.309685 0.909504
C -1.360603 0.094855 1.271467
C -3.300500 -2.445941 1.068889
C -0.779082 3.968115 1.012922
C -4.068522 -2.301707 -0.254204
C -1.222324 -3.447199 0.044081
C -1.244341 4.480204 -0.226810
C 0.151549 4.738851 1.754682
C 1.194104 0.788120 -0.607639
C -0.787902 5.724056 -0.713442
C 0.612668 5.985752 1.271442
C 0.145171 6.481582 0.033846
C 3.338483 0.229852 -1.668258
C 3.821731 -1.095347 -1.120117
C -6.156388 -0.561913 0.697284
C 5.152244 -1.237650 -0.652905
C 2.943206 -2.209501 -1.058132
C 5.602206 -2.470965 -0.129741
C 3.390160 -3.439671 -0.528452
C 4.720568 -3.574455 -0.064960
H -1.289518 1.528069 -0.361553
H -0.904277 2.442054 2.564555
H -2.369914 2.606359 1.602831
H -1.325404 -2.451999 1.924817
H -3.604200 -1.665960 1.788191
H -3.515325 -3.428330 1.525737
H -0.891778 -0.886921 -0.511564
H 1.217290 1.924492 1.116868
H -3.795364 -1.372991 -0.785529
H -3.884968 -3.155264 -0.930301
H -1.972762 3.905434 -0.813376
H 0.507005 4.367351 2.724550
H -1.159624 6.105108 -1.671360
H 1.330339 6.567790 1.860470
H 0.498881 7.447598 -0.343197
H 4.173249 0.903635 -1.915242
H 2.673101 0.100605 -2.539043
H -0.397690 -3.783906 -1.719744
H -5.622093 -0.457062 1.654479
H -5.800227 0.188863 -0.026818
H -7.236324 -0.427129 0.865554
H 5.835602 -0.380460 -0.696150
H 1.912101 -2.096459 -1.412687
H 6.633492 -2.571170 0.226382
H 2.706137 -4.294619 -0.474452
H 5.066324 -4.530825 0.343135


