%chk=000049239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049239

0 1
 S    1.445400      0.2441000     -0.1581000    
 O  -0.5578000     -0.9498000       2.104800    
 O   -1.134500       1.781000      -1.671500    
 O   -3.779500      -1.911400      -1.018200    
 N   -2.231900      -1.371800      0.5941000    
 N   -2.519500     -8.1000002E-03  -1.292500    
 C   -1.138200      0.8240000      0.5566000    
 C   0.3001000       1.339600      0.7099000    
 C   -2.091200       1.729800       1.356900    
 C   -1.244600     -0.5753000       1.154600    
 C   -1.559200      0.9152000     -0.9068000    
 C    2.987000       1.113500      0.2144000    
 C    4.207400      0.4763000     -0.4497000    
 C    4.476300     -0.9602000      6.8999999E-03
 C   -2.916400      -1.141600     -0.5932000    
 C    5.756500      -1.505300     -0.6081000    
 H   0.5888000       1.376700       1.766700    
 H   0.4006000       2.352700      0.3039000    
 H   -1.838200       1.730100       2.423500    
 H   -2.049500       2.765100      0.9991000    
 H   -3.132200       1.396900       1.269600    
 H    3.128400       1.133900       1.300200    
 H    2.897900       2.148200     -0.1332000    
 H    4.093100      0.5022000      -1.540900    
 H    5.083300       1.094700     -0.2158000    
 H   -2.419700      -2.256200       1.058200    
 H   -2.919400      0.1129000      -2.218800    
 H    4.561600     -0.9928000       1.099300    
 H    3.650900      -1.621700     -0.2759000    
 H    5.932400      -2.531300     -0.2700000    
 H    6.620800     -0.8996000     -0.3173000    
 H    5.693900      -1.513500      -1.701000    


%chk=000049239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049239

0 1
S 1.517156 1.481486 -0.698500
O 0.124242 -0.138856 2.216505
O -2.129243 1.873402 -1.600267
O -1.560951 -2.726116 -1.252693
N -0.784480 -1.388607 0.498651
N -1.850917 -0.409995 -1.372459
C -1.076062 1.110673 0.478797
C 0.078611 2.143193 0.347389
C -2.182489 1.687654 1.423221
C -0.515310 -0.166029 1.131768
C -1.712600 0.909093 -0.909770
C 2.820855 1.190718 0.669052
C 3.999861 0.378987 0.106107
C 3.651890 -1.084578 -0.252633
C -1.408184 -1.588092 -0.746544
C 4.871450 -1.866248 -0.785303
H 0.470417 2.385595 1.347961
H -0.298674 3.052767 -0.144816
H -1.750939 1.871761 2.421312
H -2.564451 2.632565 1.002012
H -3.029086 0.986070 1.531743
H 2.319711 0.658518 1.495739
H 3.149222 2.186503 1.013069
H 4.420837 0.892762 -0.781962
H 4.802365 0.381257 0.873148
H -0.433702 -2.236811 0.956080
H -2.291153 -0.536029 -2.290116
H 3.248544 -1.588683 0.649392
H 2.841422 -1.094185 -1.006871
H 4.603883 -2.909996 -1.031536
H 5.686960 -1.893745 -0.037748
H 5.273418 -1.396733 -1.703032


