%chk=000160007.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160007

0 1
 S    1.180600      0.5613000      0.9039000    
 O  -0.1622000       3.254600       1.142500    
 O   -2.609200       3.974600      0.1217000    
 O   -3.483600      -1.984100      0.8625000    
 O   -2.920700      -3.717200     -0.4884000    
 O    4.486800      -1.022800       1.370500    
 O    3.666800      -1.693800     -0.6355000    
 N  -0.3171000      -3.466500      0.3419000    
 N    4.588900       1.018000      -1.315100    
 C  -0.7255000      -1.281100     -0.7243000    
 C   -1.184900      0.1203000     -0.4749000    
 C   -1.159500      -2.273000      0.3747000    
 C  -0.4120000       1.037000      0.2443000    
 C   -2.425800      0.4978000     -0.9880000    
 C    2.282300      0.9938000     -0.4806000    
 C  -0.8918000       2.334800      0.4454000    
 C    3.745900      0.6777000     -0.1672000    
 C   -2.899700       1.793800     -0.7845000    
 C   -2.132700       2.712300     -6.7800000E-02
 C   -2.589900      -2.745400      0.1792000    
 C    3.963500     -0.7921000      0.1397000    
 H   -1.121600      -1.617200      -1.694200    
 H   0.3597000      -1.312800     -0.8720000    
 H   -1.069500      -1.836500       1.376000    
 H   -3.036200     -0.2030000      -1.551500    
 H    2.166900       2.062800     -0.6933000    
 H    1.952600      0.4420000      -1.368500    
 H    4.076800       1.274800      0.6914000    
 H   -3.866900       2.081800      -1.187500    
 H   0.6526000      -3.203100      0.5149000    
 H  -0.3305000      -3.873200     -0.5933000    
 H    5.570400      0.9038000      -1.063900    
 H    4.468700       2.003300      -1.547200    
 H   0.6660000       2.833600       1.430300    
 H   -1.952200       4.475200      0.6360000    
 H   -4.403400      -2.302800      0.7414000    
 H    4.600400      -1.981200       1.545900    


%chk=000160007-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160007

0 1
S 1.008021 0.828972 1.049972
O -0.563280 3.442430 1.132090
O -2.941215 4.043816 -0.049407
O -2.845333 -1.794092 1.559923
O -2.911735 -3.368981 -0.143177
O 4.881397 -1.534580 0.454661
O 2.709500 -1.814356 -0.304251
N -0.053695 -3.457868 0.138944
N 4.688779 0.948206 -0.832256
C -0.653142 -1.201700 -0.876349
C -1.232005 0.182305 -0.656229
C -0.790607 -2.205244 0.342877
C -0.577201 1.156274 0.151008
C -2.464627 0.552491 -1.252981
C 2.277732 1.057137 -0.360656
C -1.150040 2.432399 0.351823
C 3.632082 0.480640 0.086641
C -3.042018 1.828123 -1.058439
C -2.387565 2.775492 -0.252680
C -2.260797 -2.544675 0.540181
C 3.634760 -1.054253 0.041580
H -1.125585 -1.677268 -1.756335
H 0.434166 -1.153733 -1.064903
H -0.416303 -1.698092 1.246699
H -2.983582 -0.177566 -1.884073
H 2.367454 2.135394 -0.569407
H 1.899374 0.538683 -1.253248
H 3.811236 0.759417 1.156139
H -3.993999 2.100193 -1.523335
H 0.943470 -3.305822 -0.043931
H -0.506607 -4.091892 -0.527664
H 5.599467 0.504219 -0.682542
H 4.742673 1.966102 -0.923864
H 0.267858 3.071716 1.549119
H -2.343658 4.558724 0.554894
H -3.817924 -2.006020 1.611313
H 4.896946 -2.529090 0.412364


