%chk=000016244.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016244

0 1
 S   0.2186000       2.901000     -3.9200000E-02
 O    3.330600      -1.340800      3.7999999E-02
 N    1.227000      0.4766000     -0.2888000    
 C    1.190200     -0.8097000     -0.9707000    
 C    2.547900      0.9530000      9.7800002E-02
 C    2.006900      -1.834700     -0.1956000    
 C    3.305300     -0.1471000      0.8284000    
 C   0.1140000       1.229400     -0.1164000    
 C   -1.152100      0.4670000     -9.9999997E-05
 C   -1.577900      6.3699998E-02   1.250300    
 C   -1.869500      0.1823000      -1.145200    
 C   -2.769300     -0.6533000       1.359900    
 C   -3.060900     -0.5347000      -1.035500    
 C   -3.510800     -0.9526000      0.2171000    
 H    1.652700     -0.6420000      -1.951500    
 H   0.1955000      -1.211200      -1.151800    
 H    2.522900       1.831200      0.7470000    
 H    3.072600       1.217000     -0.8284000    
 H    1.537200      -2.076800      0.7652000    
 H    2.092300      -2.761800     -0.7710000    
 H    4.340500      0.1607000       1.005600    
 H    2.849400     -0.3695000       1.800600    
 H   -1.004700      0.2906000       2.144500    
 H   -1.528500      0.5060000      -2.124500    
 H   -3.119200     -0.9793000       2.335000    
 H   -3.638600     -0.7673000      -1.925300    
 H   -4.438400      -1.511100      0.3023000    


%chk=000016244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016244

0 1
S 0.157228 2.828960 -0.262785
O 3.541951 -1.314127 0.431078
N 1.270658 0.328439 -0.293847
C 1.311792 -1.117946 -0.638680
C 2.629151 0.917407 -0.217373
C 2.186466 -1.879942 0.376523
C 3.479077 0.114910 0.787199
C 0.130270 1.105342 -0.262218
C -1.189743 0.399703 -0.169445
C -1.441114 -0.548650 0.861376
C -2.240694 0.736175 -1.062278
C -2.713357 -1.147623 0.990273
C -3.503748 0.118680 -0.946662
C -3.746444 -0.824627 0.080519
H 1.764726 -1.217313 -1.646436
H 0.293980 -1.532782 -0.670999
H 2.531910 1.974421 0.084712
H 3.096894 0.883407 -1.221667
H 1.718144 -1.843977 1.384693
H 2.315723 -2.930542 0.069165
H 4.523346 0.466266 0.779107
H 3.057772 0.230185 1.809173
H -0.652116 -0.783878 1.585537
H -2.054720 1.493700 -1.830662
H -2.898915 -1.858438 1.803293
H -4.302271 0.381627 -1.649068
H -4.732268 -1.292775 0.177174


