%chk=000056054.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056054

0 1
 S    3.227800       1.605400     -9.9999997E-05
 O  -0.1155000      -1.617400     -3.9999999E-04
 O   -4.112900       1.448500      9.9999997E-05
 N   0.8216000      0.5409000     -6.0000003E-04
 N    2.753000     -0.9128000      9.9999997E-05
 N    4.131700     -0.7921000      5.0000002E-04
 N   -5.028700     -0.6619000      9.9999997E-05
 C    2.190700      0.2562000     -1.9999999E-04
 C  -0.2035000     -0.3953000     -6.9999998E-04
 C   -1.536800      0.2816000      5.0000002E-04
 C   -2.658200     -0.4502000      1.9999999E-04
 C    4.511500      0.4677000      3.0000001E-04
 C   -3.980600      0.2295000      1.9999999E-04
 H   0.5995000       1.533300     -6.0000003E-04
 H   -1.562200       1.366400      8.9999998E-04
 H   -2.640400      -1.534900     -5.0000002E-04
 H    5.550900      0.7642000      3.9999999E-04
 H   -4.898100      -1.668700      9.9999997E-05
 H   -5.988600     -0.3328000      9.9999997E-05


%chk=000056054-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056054

0 1
S 3.380152 1.744784 -0.000551
O -0.044653 -1.640121 0.000745
O -4.186603 1.455836 -0.000342
N 0.835661 0.558023 0.001172
N 2.792607 -0.891732 0.000218
N 4.196030 -0.802045 -0.000617
N -5.127406 -0.673213 -0.000979
C 2.202107 0.301423 0.000390
C -0.224038 -0.397580 0.001827
C -1.563755 0.260462 0.001042
C -2.705493 -0.476620 0.000380
C 4.653946 0.440311 -0.001042
C -4.046285 0.193918 -0.000266
H 0.555407 1.540987 0.001199
H -1.654431 1.355849 0.001026
H -2.632599 -1.572604 0.000393
H 5.712965 0.693836 -0.001676
H -5.014785 -1.685718 -0.000990
H -6.067627 -0.278195 -0.001530