%chk=000115066.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115066

0 1
 S   -2.644300       1.116300      -1.734000    
 S    5.577800      -1.822800     -0.8149000    
 O  -0.3061000     -0.8424000      -1.880700    
 O   -1.500600      -2.494300      0.5180000    
 O   -5.798300     -0.6237000       1.353100    
 O   -3.900400     -0.3397000       2.583100    
 O    1.693300       1.258200      -1.395800    
 O    4.192500       2.454900       1.803700    
 O    3.715900       2.905500     -0.3697000    
 N   -2.359700     -0.2982000      0.4218000    
 N   0.7287000     -0.1160000      0.2041000    
 C   -1.575100      0.7026000     -0.3074000    
 C  -0.5154000     -0.3853000     -0.5303000    
 C   -3.783700     -0.3935000      0.1723000    
 C   -4.178000      0.7989000     -0.7258000    
 C   -1.462400      -1.313400      0.2565000    
 C   -4.516100       2.086700      3.7599999E-02
 C   -5.325700      0.4316000      -1.668200    
 C   -4.463300     -0.4436000       1.503400    
 C    1.738200      0.6953000     -0.3034000    
 C   0.2656000      -2.136100      -2.005900    
 C    2.936500      0.8151000      0.6367000    
 C    3.912000     -0.3055000      0.3581000    
 C    3.619800       2.172000      0.6044000    
 C    4.248600      -1.281500       1.315700    
 C    4.543100     -0.4587000     -0.8378000    
 C    5.157400      -2.182400      0.8056000    
 H   -1.291500       1.552700      0.3208000    
 H   -3.960200      -1.354400     -0.3297000    
 H   -4.658000       2.932100     -0.6466000    
 H   -5.449500       1.980200      0.6015000    
 H   -3.733300       2.362800      0.7528000    
 H   -5.544300       1.244500      -2.370800    
 H   -5.099100     -0.4655000      -2.256000    
 H   -6.247100      0.2320000      -1.110900    
 H   0.8752000     -0.5464000       1.114200    
 H   0.6899000      -2.224100      -3.009800    
 H    1.066600      -2.301300      -1.279500    
 H  -0.5083000      -2.900300      -1.895900    
 H    2.541100      0.7084000       1.658100    
 H   -6.262900     -0.6585000       2.216300    
 H    3.859700      -1.339000       2.324300    
 H    4.464100      0.1472000      -1.729800    
 H    5.594400      -3.034300       1.307000    
 H    4.665800       3.314000       1.788900    


%chk=000115066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115066

0 1
S -2.473198 -0.247747 -2.137735
S 5.925271 2.069511 -1.155468
O -0.613575 -2.351851 -0.956752
O -2.149615 -2.103803 1.951965
O -5.623830 1.322126 1.345430
O -3.514162 2.084841 1.965039
O 1.581116 0.157012 -1.257900
O 2.138113 -0.424510 2.963649
O 2.944330 1.685964 2.426493
N -2.359878 -0.147889 0.523603
N 0.677265 -0.969644 0.577730
C -1.392481 -0.021888 -0.609265
C -0.619856 -1.257893 -0.021823
C -3.756335 0.232778 0.312251
C -3.881731 0.724500 -1.200018
C -1.794018 -1.319206 1.050375
C -3.623124 2.238949 -1.348897
C -5.231941 0.310340 -1.809379
C -4.220775 1.308020 1.297786
C 1.690104 -0.292271 -0.091821
C -0.221971 -3.651268 -0.370762
C 3.031439 -0.173079 0.749971
C 4.144236 0.446762 -0.069762
C 2.744197 0.507405 2.082968
C 4.810262 -0.314931 -1.108463
C 4.623812 1.743969 0.029736
C 5.786249 0.393666 -1.781133
H -0.827029 0.916639 -0.657747
H -4.403994 -0.652487 0.454504
H -3.594513 2.505170 -2.418228
H -4.433047 2.824254 -0.871647
H -2.665326 2.544408 -0.893915
H -5.301847 0.643947 -2.859737
H -5.365484 -0.785171 -1.784067
H -6.057916 0.777836 -1.243018
H 0.835112 -1.230329 1.559104
H -0.290277 -4.366119 -1.203582
H 0.817688 -3.619027 0.008039
H -0.911898 -3.942885 0.442165
H 3.302209 -1.218791 0.997525
H -5.926576 2.025097 1.982271
H 4.557016 -1.351249 -1.349401
H 4.310940 2.531440 0.710471
H 6.430506 0.072741 -2.596762
H 1.907433 0.024762 3.821307


