%chk=000097088.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097088

0 1
 S    4.205700     -0.3841000      0.2610000    
 N  -0.9879000     -2.6000001E-02  0.1817000    
 C   0.2283000      0.6215000     -0.2952000    
 C    1.461800     -0.1477000      0.1793000    
 C   -1.074400      -1.397000     -0.3244000    
 C   -2.170300      0.7385000     -0.2193000    
 C    2.742000      0.5347000     -0.2967000    
 C   -2.303800      -2.106000      0.2178000    
 C   -2.101600       2.166100      0.2959000    
 H   0.2346000      0.7055000      -1.390000    
 H   0.3287000       1.632200      0.1137000    
 H    1.454800     -0.2232000       1.274300    
 H    1.488400      -1.161900     -0.2302000    
 H   -1.074700      -1.433200      -1.421000    
 H  -0.2401000      -2.007800      2.8899999E-02
 H   -2.303400      0.7466000      -1.308600    
 H   -3.075100      0.3083000      0.2221000    
 H    2.805400       1.554500      9.6100003E-02
 H    2.766300      0.5901000      -1.389800    
 H   -2.399900      -1.982000       1.302000    
 H   -3.227400      -1.768700     -0.2625000    
 H   -2.225700      -3.181100      1.8900000E-02
 H   -1.825800       2.205100       1.355400    
 H   -1.407100       2.786700     -0.2789000    
 H   -3.087100       2.636300      0.2002000    
 H    3.988400     -0.2391000       1.576500    


%chk=000097088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097088

0 1
S 4.379349 -0.190104 0.492750
N -1.006798 -0.043635 -0.043006
C 0.282819 0.452439 -0.594498
C 1.523704 -0.162818 0.109302
C -1.278150 -1.450192 -0.455721
C -2.139876 0.867311 -0.362118
C 2.808541 0.629682 -0.194233
C -2.329295 -2.162254 0.420754
C -2.127902 2.172666 0.461090
H 0.355066 0.276186 -1.698458
H 0.316843 1.547913 -0.447828
H 1.322720 -0.166764 1.196877
H 1.683251 -1.211551 -0.202400
H -1.582613 -1.505897 -1.532596
H -0.331315 -2.012028 -0.368954
H -2.174428 1.109387 -1.455190
H -3.076525 0.330734 -0.130000
H 2.759933 1.656214 0.208153
H 2.993959 0.695223 -1.279882
H -2.051004 -2.079390 1.485464
H -3.346970 -1.748851 0.298765
H -2.383598 -3.235113 0.155314
H -2.082977 1.936097 1.537834
H -1.270279 2.825931 0.217265
H -3.045622 2.759409 0.266266
H 4.001267 -0.122295 1.822249


