%chk=000050853.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050853

0 1
 S    4.442300      0.5687000     -1.8300001E-02
 O   -1.313200     -0.7229000     -0.6550000    
 N   -4.523800      0.7108000      0.4442000    
 N   -5.709000      6.7400001E-02  0.9140000    
 C   -2.247600      0.3156000     -0.3648000    
 C   -3.544000     -0.3147000      0.1188000    
 C   7.1000000E-03 -0.4268000     -0.5086000    
 C   0.4559000      0.8780000     -0.7129000    
 C   0.9115000      -1.428100     -0.1547000    
 C    2.713600      0.1802000     -0.2093000    
 C    1.809100       1.181400     -0.5633000    
 C    2.264700      -1.124700     -4.9999999E-03
 C    4.733400      0.1151000       1.715000    
 H   -1.874200      0.9787000      0.4273000    
 H   -2.424900      0.8999000      -1.275800    
 H   -3.925500     -0.9840000     -0.6637000    
 H   -3.327700     -0.9475000      0.9901000    
 H  -0.2096000       1.680600      -1.016300    
 H   0.5675000      -2.446500      4.1000000E-03
 H    2.141600       2.202800     -0.7322000    
 H    2.952100      -1.922700      0.2644000    
 H   -4.160400       1.320900       1.175600    
 H   -5.526300     -0.3603000       1.821500    
 H   -6.423200      0.7755000       1.078800    
 H    4.619700     -0.9624000       1.858000    
 H    4.035600      0.6449000       2.369100    
 H    5.753200      0.3956000       1.991500    


%chk=000050853-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050853

0 1
S 4.624539 0.278124 -0.513218
O -1.316100 -0.809527 0.151088
N -4.691296 0.699116 0.487254
N -6.025132 0.288524 0.223017
C -2.303494 0.283686 0.150745
C -3.680915 -0.369401 0.321937
C 0.035327 -0.472293 -0.002336
C 0.521507 0.851400 -0.152807
C 0.937606 -1.566978 -0.002161
C 2.815907 -0.017358 -0.287192
C 1.912025 1.067411 -0.294409
C 2.318458 -1.337932 -0.146927
C 5.157214 0.370906 1.303066
H -2.085398 0.982169 0.987571
H -2.262335 0.845821 -0.802072
H -3.950503 -0.934229 -0.584221
H -3.638515 -1.092009 1.169885
H -0.158497 1.707907 -0.167459
H 0.536033 -2.579195 0.105013
H 2.295198 2.085823 -0.418062
H 3.015684 -2.182146 -0.161189
H -4.575329 1.216226 1.374073
H -6.549611 -0.166973 0.979271
H -6.552525 0.955421 -0.340484
H 4.921685 -0.576068 1.812292
H 4.649798 1.211267 1.800902
H 6.246568 0.535804 1.298923


