%chk=000079086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079086

0 1
 S    3.846500     -0.3830000      0.6679000    
 N    1.528900      0.3906000     -0.6324000    
 C   -2.291500      7.8599997E-02 -0.2397000    
 C  -0.9115000      0.4474000     -0.8196000    
 C   -2.370500      -1.434300     -1.7800000E-02
 C   -2.587800      0.8076000       1.071600    
 C   0.2795000      3.5599999E-02  4.1499998E-02
 C    2.506400      5.7399999E-02 -7.1500003E-02
 H   -3.053300      0.3653000     -0.9751000    
 H  -0.8734000       1.531000     -0.9914000    
 H  -0.8097000     -1.4800000E-02  -1.810600    
 H   -2.074700      -1.982200     -0.9186000    
 H   -3.400300      -1.724200      0.2196000    
 H   -1.744400      -1.768800      0.8153000    
 H   -1.913500      0.4991000       1.876500    
 H   -3.611500      0.5993000       1.401000    
 H   -2.493000       1.890800      0.9424000    
 H   0.2261000      0.5409000       1.014000    
 H   0.2590000      -1.046000      0.2211000    


%chk=000079086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079086

0 1
S 4.304059 0.485418 -0.700454
N 1.612666 0.034785 0.080530
C -2.238243 0.079759 -0.268443
C -0.742789 0.315695 -0.623305
C -2.582212 -1.424435 -0.127506
C -2.680844 0.868688 0.988228
C 0.251724 -0.193182 0.454726
C 2.757429 0.226335 -0.233803
H -2.816417 0.472644 -1.129494
H -0.566135 1.397992 -0.777748
H -0.507077 -0.188182 -1.580761
H -2.241727 -2.001360 -1.007275
H -3.674673 -1.566657 -0.034058
H -2.119039 -1.866152 0.774435
H -2.209555 0.470975 1.906246
H -3.775202 0.799795 1.126562
H -2.418534 1.939968 0.905787
H 0.054813 0.315634 1.418455
H 0.103057 -1.277420 0.622076


