%chk=000060707.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060707

0 1
 S   0.7226000      0.6344000      -1.868700    
 O   -3.267700       1.195900       1.979700    
 O   -4.962100      -2.797100      0.3390000    
 O   -2.386200       3.468400     -0.3045000    
 O  -0.1532000       3.054100     -3.5799999E-02
 O    4.059400      0.7632000       1.449000    
 N   -2.856000      0.8095000     -0.3128000    
 N    2.512600      -1.331500       1.096700    
 N    5.906900     -0.2641000      0.4824000    
 C   -3.001800     -0.5708000     -0.8244000    
 C   -3.450700     -0.9553000      0.6122000    
 C   -1.614400     -0.9151000      -1.402600    
 C   -3.233100      0.5318000      0.9683000    
 C  -0.8933000      0.4177000      -1.324200    
 C   -1.647200       1.323300     -0.6860000    
 C   -4.878300      -1.429600      0.7408000    
 C   -1.768100      -1.458600      -2.820500    
 C    1.551900     -0.6761000     -0.9319000    
 C    3.057300     -0.7283000      -1.173400    
 C   -5.375700      -1.300200       2.176000    
 C    1.439600     -0.4758000      0.5682000    
 C    3.640600      -1.172000      0.1672000    
 C   -1.284800       2.685900     -0.3076000    
 C    4.545100     -0.1368000      0.7587000    
 C    6.897200      0.6740000      0.9951000    
 C    6.439200      -1.347000     -0.3408000    
 H   -3.810200     -0.6094000      -1.568200    
 H   -2.735800      -1.600900       1.139800    
 H   -1.129000      -1.666400     -0.7702000    
 H   -5.548700     -0.8598000      8.7600000E-02
 H   -2.226700     -0.7207000      -3.488600    
 H  -0.7992000      -1.742500      -3.243900    
 H   -2.407900      -2.347900      -2.822700    
 H    1.130200      -1.648000      -1.217500    
 H    3.463900      0.2428000      -1.481500    
 H    3.288800      -1.451400      -1.964100    
 H    1.597700      0.5667000      0.8679000    
 H   0.4746000     -0.8036000      0.9665000    
 H   -5.444400     -0.2559000       2.492900    
 H   -6.366700      -1.755800       2.277900    
 H   -4.711900      -1.827500       2.870500    
 H    4.127300      -2.146800      9.3099996E-02
 H    2.753700      -1.079400       2.053100    
 H   -4.419400      -3.321900      0.9520000    
 H   -2.179700       4.394000     -5.3300001E-02
 H    6.428900       1.430900       1.629300    
 H    7.386200       1.169200      0.1512000    
 H    7.636800      0.1220000       1.582100    
 H    6.496800      -2.251900      0.2707000    
 H    7.440600      -1.090300     -0.7000000    
 H    5.803300      -1.526800      -1.210600    


%chk=000060707-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060707

0 1
S 0.828233 0.956164 -1.167011
O -4.301146 1.575994 1.632984
O -5.002818 -2.883543 -0.014351
O -2.885812 3.713835 -0.500943
O -0.623491 3.602464 -1.061829
O 5.084288 -0.173103 2.134273
N -3.163249 0.943253 -0.457156
N 2.826326 -1.516788 1.400069
N 6.243745 -0.474005 0.139454
C -3.044296 -0.547911 -0.682025
C -3.872368 -0.784936 0.623991
C -1.511533 -0.828291 -0.808875
C -3.878426 0.775875 0.783844
C -0.914002 0.596015 -0.860935
C -1.891229 1.566931 -0.710556
C -5.226509 -1.500211 0.467866
C -1.227759 -1.661769 -2.084316
C 1.681982 -0.562556 -0.400959
C 3.175706 -0.556892 -0.805122
C -6.059766 -1.463706 1.756570
C 1.747329 -0.527356 1.137570
C 3.875533 -1.352147 0.355147
C -1.704490 3.019481 -0.781481
C 5.119076 -0.614355 0.938749
C 7.412327 0.257312 0.664837
C 6.371474 -0.976339 -1.236935
H -3.577201 -0.876619 -1.589701
H -3.284854 -1.246998 1.440868
H -1.119473 -1.371586 0.075270
H -5.787128 -1.034089 -0.362088
H -1.616498 -1.138408 -2.975925
H -0.151989 -1.841204 -2.246265
H -1.736326 -2.639934 -2.007923
H 1.186084 -1.481516 -0.747080
H 3.551955 0.483666 -0.839589
H 3.338535 -1.009458 -1.796798
H 1.988766 0.505364 1.476954
H 0.801313 -0.839530 1.614274
H -6.235185 -0.420240 2.073806
H -7.033396 -1.958549 1.598699
H -5.533645 -1.978536 2.584939
H 4.195501 -2.351612 -0.002103
H 3.236751 -1.410530 2.340901
H -4.702960 -3.437864 0.751783
H -2.700012 4.690516 -0.540841
H 7.171091 0.612054 1.677890
H 7.650156 1.123371 0.018105
H 8.297386 -0.405838 0.710012
H 7.354843 -1.467714 -1.359965
H 6.304288 -0.153379 -1.976157
H 5.591872 -1.716184 -1.467830


