%chk=000059784.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059784

0 1
 S  -7.8000002E-02 -0.5726000       2.701700    
 O   -3.254600      -3.875300      0.2376000    
 O    6.330300       1.435200      0.1628000    
 O    6.130500      0.2028000      -1.642900    
 N    1.732300      -2.021200      -1.265600    
 N    5.684000      0.6307000     -0.5511000    
 N  -0.9505000       1.249600      0.8584000    
 N   -2.113300       2.546600       2.178000    
 N   -1.638900       1.607300       3.010400    
 C  -7.3399998E-02  -2.044700      0.3242000    
 C    1.901000     -0.6892000      0.7309000    
 C   0.6406000      -1.148600       1.126200    
 C   0.5187000      -2.460500     -0.8803000    
 C    2.415900      -1.158100     -0.4894000    
 C   -1.341800      -2.522800      0.6967000    
 C    2.640800      0.2114000       1.517100    
 C  -0.1873000      -3.352700      -1.683000    
 C    3.670400     -0.7044000     -0.8882000    
 C   -2.026800      -3.414200     -0.1236000    
 C    4.408100      0.1905000     -0.1095000    
 C   -1.447900      -3.829900      -1.315800    
 C    3.892700      0.6496000       1.095800    
 C  -0.9507000      0.8615000       2.157700    
 C   -1.699400       2.327100      0.9011000    
 C   -4.160400      -4.205400     -0.8147000    
 C   -2.061000       3.182600     -0.1992000    
 C   -1.601100       2.898400      -1.486600    
 C   -2.871400       4.298700      1.7700000E-02
 C   -5.578300      -3.988500     -0.3309000    
 C   -1.950100       3.727300      -2.552800    
 C   -3.220400       5.127400      -1.048700    
 C   -2.759800       4.841600      -2.333900    
 H   -1.837500      -2.230800       1.617400    
 H    2.290200      0.6022000       2.467000    
 H   0.2481000      -3.697500      -2.619300    
 H    4.063500      -1.071800      -1.835500    
 H   -1.927800      -4.544500      -1.978000    
 H    4.434400       1.345600       1.730700    
 H   -4.012300      -3.568100      -1.695500    
 H   -4.020300      -5.255500      -1.093700    
 H   -2.696400       3.279400       2.563800    
 H  -0.9687000       2.035700      -1.682900    
 H   -3.254200       4.562400      0.9992000    
 H   -6.301600      -4.242600      -1.110900    
 H   -5.782300      -4.602100      0.5528000    
 H   -5.729600      -2.945000     -3.4899998E-02
 H   -1.591600       3.505000      -3.553700    
 H   -3.850800       5.995400     -0.8790000    
 H   -3.031500       5.486900      -3.164200    


%chk=000059784-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059784

0 1
S -0.034815 -0.429175 2.720772
O -3.457463 -3.545466 0.181309
O 6.636763 1.077519 0.091585
O 6.364782 -0.233269 -1.756671
N 1.738514 -2.083352 -1.337951
N 5.938596 0.279515 -0.650087
N -0.892701 1.574232 0.904408
N -2.674806 2.333074 2.004652
N -2.196649 1.293126 2.809724
C -0.140915 -1.921138 0.299312
C 1.957590 -0.685652 0.717841
C 0.643034 -1.046333 1.109804
C 0.474270 -2.409147 -0.941848
C 2.469625 -1.248446 -0.535522
C -1.466077 -2.339927 0.621380
C 2.811535 0.202852 1.465680
C -0.287650 -3.283857 -1.792131
C 3.794905 -0.915828 -0.969101
C -2.171767 -3.194293 -0.232306
C 4.570433 -0.060047 -0.195697
C -1.577317 -3.671024 -1.458302
C 4.090031 0.514469 1.029128
C -1.112737 0.886080 2.082956
C -1.903935 2.490768 0.864492
C -4.259914 -4.457949 -0.666922
C -2.127522 3.478850 -0.195774
C -1.212190 3.534291 -1.281668
C -3.226681 4.379928 -0.165262
C -5.592048 -4.658050 0.048990
C -1.394297 4.475627 -2.314186
C -3.404105 5.320068 -1.201097
C -2.488961 5.372243 -2.278625
H -1.939548 -2.006318 1.548562
H 2.423534 0.635721 2.392131
H 0.195912 -3.628932 -2.710583
H 4.171479 -1.341110 -1.902077
H -2.132825 -4.337734 -2.123654
H 4.743976 1.188842 1.586889
H -4.404224 -3.998739 -1.665676
H -3.719128 -5.418377 -0.786358
H -3.498777 2.844476 2.312754
H -0.370709 2.834750 -1.291524
H -3.951494 4.358100 0.658131
H -6.238731 -5.333921 -0.539411
H -5.435691 -5.102837 1.046138
H -6.115116 -3.695247 0.176074
H -0.682895 4.511966 -3.146028
H -4.253614 6.010631 -1.169081
H -2.627875 6.103941 -3.081769


