%chk=000163949.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163949

0 1
 S    4.371300     -0.3383000     -0.2396000    
 S    1.788900      0.9826000     -0.5994000    
 O  -0.7372000       2.455500     -0.3723000    
 O    4.832500      -1.696400     -1.0500000E-02
 O    4.544900      0.2846000      -1.540300    
 O   -3.750000      -2.613300     -0.5864000    
 N    5.027900      0.6844000      0.9585000    
 C   0.3915000      0.4860000      0.1912000    
 C    2.664800     -0.2682000      0.1755000    
 C   -2.177700      0.6440000     -3.4899998E-02
 C  -0.8590000       1.254700     -8.7800004E-02
 C   0.5158000     -0.5629000       1.010000    
 C    1.865400      -1.019900       1.008200    
 C   -2.333100     -0.7083000     -0.3398000    
 C   -3.287500       1.410800      0.3203000    
 C   -3.598100      -1.293800     -0.2893000    
 C   -4.552600      0.8255000      0.3707000    
 C   -4.707900     -0.5269000      6.6000000E-02
 H  -0.2672000      -1.005300       1.611600    
 H    2.229700      -1.854700       1.593000    
 H   -1.495700      -1.323700     -0.6566000    
 H   -3.186200       2.464800      0.5656000    
 H   -5.416500       1.422200      0.6484000    
 H   -5.698700     -0.9710000      0.1094000    
 H    4.993700      0.3490000       1.929800    
 H    5.914500       1.154100      0.7348000    
 H   -4.689700      -2.849400     -0.5006000    


%chk=000163949-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163949

0 1
S 4.561493 -0.406792 0.019211
S 1.878439 1.235921 -0.474785
O -0.821264 2.519556 -0.402672
O 4.892659 -1.823299 0.752608
O 5.034837 -0.080806 -1.498522
O -3.912747 -2.625515 -0.656001
N 5.180431 1.006554 1.009871
C 0.316833 0.480424 0.070108
C 2.728539 -0.186982 0.177280
C -2.259073 0.619286 -0.013639
C -0.915082 1.277909 -0.137807
C 0.532092 -0.744191 0.711277
C 1.911058 -1.132983 0.773539
C -2.474748 -0.735795 -0.365813
C -3.350344 1.425459 0.412974
C -3.774795 -1.281042 -0.277370
C -4.638181 0.864953 0.507695
C -4.861286 -0.489618 0.167200
H -0.275293 -1.333257 1.150183
H 2.292446 -2.052693 1.221790
H -1.671764 -1.365860 -0.757678
H -3.166590 2.476554 0.653381
H -5.479032 1.479798 0.845028
H -5.869575 -0.917736 0.237369
H 5.375505 0.701434 1.977268
H 6.003011 1.398118 0.522073
H -4.853771 -2.923298 -0.589069


