%chk=000000486.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000486

1 1
 S    2.576300      2.1800000E-02 -0.1020000    
 O    1.131100     -4.9800001E-02  0.6582000    
 O    3.650000     -0.2837000       1.087600    
 O    2.633600      -1.086100      -1.037300    
 O    2.797900       1.379000     -0.5652000    
 N   -2.543900     -3.1999999E-03  1.1400000E-02
 C   -1.263000     -5.5599999E-02  0.8316000    
 C   -2.554700      -1.152100     -0.9867000    
 C   -3.744800     -0.1250000      0.9383000    
 C   -2.613200       1.319900     -0.7375000    
 C  -6.9200002E-02  3.4899998E-02 -9.8399997E-02
 H   -1.275600      0.7729000       1.549900    
 H   -1.254300     -0.9938000       1.399500    
 H   -2.307100      -2.079000     -0.4608000    
 H   -3.563200      -1.222600      -1.407700    
 H   -1.855100     -0.9535000      -1.802300    
 H   -3.716800      0.7056000       1.649800    
 H   -4.657900     -8.1100002E-02  0.3372000    
 H   -3.679700      -1.082700       1.463200    
 H   -2.435400       2.134600     -2.9400000E-02
 H   -1.884200       1.333200      -1.551200    
 H   -3.616200       1.411900      -1.166900    
 H  -4.2500000E-02 -0.7846000     -0.8198000    
 H  -3.7700001E-02  0.9848000     -0.6380000    
 H    3.513500      0.2271000       1.919900    


%chk=000000486-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000486

1 1
S 2.134820 -0.409846 -0.252585
O 1.314395 1.243603 0.115732
O 1.574024 -1.300803 1.251802
O 1.308214 -1.083985 -1.453833
O 3.710775 -0.184396 -0.230896
N -2.290772 0.019535 0.053882
C -1.037137 0.699817 0.654807
C -1.910722 -1.278519 -0.668517
C -3.236367 -0.324500 1.208985
C -3.011250 0.963297 -0.909476
C -0.065009 1.310546 -0.387772
H -1.405515 1.474177 1.348301
H -0.510820 -0.073660 1.241436
H -1.502485 -1.986984 0.067907
H -2.815957 -1.695381 -1.135452
H -1.145931 -1.080445 -1.433043
H -3.587083 0.606040 1.680643
H -4.093912 -0.889243 0.812836
H -2.694451 -0.937573 1.944917
H -3.209440 1.918227 -0.398584
H -2.388374 1.132111 -1.799707
H -3.962441 0.501495 -1.214880
H -0.129953 0.822709 -1.379475
H -0.219348 2.395457 -0.521638
H 2.362640 -1.468778 1.848011


