%chk=000043540.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043540

0 1
 S    1.099000      0.6918000      0.3911000    
 O   -1.465400       2.246100      8.9199997E-02
 N   -1.498400     -9.7599998E-02  2.8200001E-02
 N   0.1014000      -1.751700      0.1570000    
 C   -2.250800      -1.326400     -4.4000000E-02
 C   -1.195800      -2.415800     -7.6499999E-02
 C  -0.1590000     -0.4827000      0.1767000    
 C   -2.079700       1.183400     -9.1000004E-03
 C   -3.577700       1.202900     -0.2026000    
 C    2.473900     -0.2029000     -0.3665000    
 C    3.702800      0.6482000     -0.3706000    
 C    4.849700      0.3048000      0.2269000    
 H   -2.886600      -1.343800     -0.9343000    
 H   -2.888000      -1.408300      0.8432000    
 H   -1.381100      -3.171900      0.6931000    
 H   -1.177500      -2.917900      -1.049800    
 H   -4.074400      0.6482000      0.5974000    
 H   -3.837200      0.7778000      -1.175500    
 H   -3.934300       2.237000     -0.1726000    
 H    2.652300      -1.135400      0.1798000    
 H    2.216100     -0.4585000      -1.399800    
 H    3.667800       1.588300     -0.9164000    
 H    5.712600      0.9598000      0.1762000    
 H    4.949100     -0.6265000      0.7734000    


%chk=000043540-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043540

0 1
S 1.015460 0.835081 1.042310
O -1.532641 2.084823 0.990576
N -1.469369 -0.033208 0.021613
N 0.294624 -1.517382 -0.229479
C -2.100866 -1.189366 -0.685376
C -0.904781 -2.192708 -0.814906
C -0.081334 -0.343576 0.221878
C -2.134456 1.142333 0.398604
C -3.616432 1.205200 0.049438
C 2.619864 -0.240456 0.987751
C 3.302369 -0.184645 -0.346772
C 4.503901 0.408056 -0.568392
H -2.492896 -0.873503 -1.668808
H -2.934266 -1.601002 -0.089684
H -1.094272 -3.132624 -0.265939
H -0.698196 -2.456055 -1.867285
H -4.185336 0.400582 0.550847
H -3.780837 1.105520 -1.039278
H -4.004199 2.178440 0.383190
H 3.234788 0.178124 1.801889
H 2.285658 -1.260622 1.234992
H 2.766240 -0.680770 -1.166123
H 4.965974 0.409242 -1.561906
H 5.059801 0.907414 0.235364


