%chk=000038671.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038671

0 1
 S   -4.269000      0.3451000     -1.2000000E-02
 N   0.9089000      0.5600000      9.3000000E-03
 N    3.202100      0.8962000     -5.7999999E-03
 N    2.472800      -1.263200     -9.2000002E-03
 C   -1.515900      0.3735000      1.2000001E-03
 C  -0.1994000     -0.3961000      1.3600000E-02
 C   -2.706600     -0.5799000      4.1000000E-03
 C    2.107100      6.4499997E-02 -1.2000001E-03
 H   -1.554100       1.034400      0.8769000    
 H   -1.547200       1.019300     -0.8860000    
 H  -0.1555000      -1.024900      0.9112000    
 H  -0.1507000      -1.041000     -0.8723000    
 H   -2.690300      -1.216000      0.8950000    
 H   -2.682000      -1.229200     -0.8768000    
 H   -4.092200      0.9696000       1.161700    
 H    3.093800       1.904500     -7.9999998E-04
 H    4.147200      0.5287000     -1.3700000E-02
 H    3.449700      -1.536100     -1.7300000E-02
 H    1.790000      -2.012500     -5.7000001E-03


%chk=000038671-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038671

0 1
S -4.381506 0.374326 -0.035055
N 0.943651 0.513411 0.022425
N 3.237003 0.955935 0.010214
N 2.548130 -1.302826 -0.031238
C -1.504878 0.346147 0.014082
C -0.177284 -0.444212 0.010851
C -2.735203 -0.571989 0.036423
C 2.173894 0.050325 0.001047
H -1.505003 1.014662 0.896412
H -1.531461 0.999030 -0.876851
H -0.161328 -1.121751 0.901434
H -0.160820 -1.105326 -0.891884
H -2.750328 -1.214999 0.934017
H -2.771447 -1.222553 -0.855539
H -4.158128 1.131482 1.104847
H 2.989904 1.940971 0.028141
H 4.211024 0.673549 -0.004920
H 3.518052 -1.605138 -0.052615
H 1.824426 -2.014147 -0.039588


