%chk=000099558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099558

0 1
 S   0.8720000      0.3024000      0.6003000    
 O   -2.613100       1.520600      0.7687000    
 O   -2.206700      0.8570000      -1.362100    
 N   -2.606500      -1.751300     -5.7200000E-02
 N    4.793100     -1.8600000E-02 -0.3672000    
 C   -1.721200     -0.6920000      0.4308000    
 C  -0.2734000      -1.000100      4.4199999E-02
 C    2.391300     -0.3734000     -0.1056000    
 C    3.571900      0.5371000      0.2081000    
 C   -2.207500      0.6182000     -0.1601000    
 H   -1.809800     -0.6458000       1.523100    
 H   4.0899999E-02  -1.950200      0.4904000    
 H  -0.1817000      -1.087500      -1.044800    
 H    2.561300      -1.372000      0.3119000    
 H    2.267400     -0.4699000      -1.190000    
 H    3.412200       1.536700     -0.2115000    
 H    3.706200      0.6422000       1.290900    
 H   -3.551400      -1.594400      0.2919000    
 H   -2.308800      -2.648300      0.3248000    
 H    4.976600     -0.9360000      3.7200000E-02
 H    5.584900      0.5698000     -0.1111000    
 H   -2.906000       2.361900      0.3580000    


%chk=000099558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099558

0 1
S 1.144985 -1.005010 1.438325
O -2.408866 1.462146 -0.096312
O -0.436712 0.798104 -1.117382
N -2.775761 -1.352256 0.064024
N 4.425740 0.787192 -0.473416
C -1.554087 -0.681597 0.567894
C -0.352087 -1.638015 0.466694
C 2.324944 -0.528793 0.014904
C 3.449544 0.386731 0.556660
C -1.351433 0.563059 -0.302508
H -1.637003 -0.327218 1.622593
H -0.620856 -2.615135 0.903950
H -0.058892 -1.786697 -0.584323
H 2.745503 -1.458248 -0.409111
H 1.718489 -0.004934 -0.742615
H 2.999758 1.297690 0.992427
H 3.993409 -0.122356 1.374550
H -3.603718 -0.748691 0.052101
H -2.950935 -2.264203 0.496057
H 4.998611 0.021472 -0.840562
H 4.038110 1.372440 -1.219600
H -2.297042 2.250719 -0.693651


