%chk=000096823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096823

0 1
 S    2.051000      0.6792000      0.8275000    
 O   -1.574700      -2.544700     -8.8399999E-02
 N  -0.4712000       1.257400      0.1986000    
 N   0.1096000      -1.032500      0.3375000    
 N   -2.679300       2.034700     -0.3448000    
 C   0.4064000      0.2295000      0.4146000    
 C   -1.790300       1.015100     -0.1289000    
 C    2.908500     -0.1074000     -0.5505000    
 C   -2.173200     -0.2744000     -0.2273000    
 C    4.404000      0.1253000     -0.4500000    
 C   -1.190700      -1.382300      1.1700000E-02
 H  -0.1845000       2.226800      0.2727000    
 H    2.709900      -1.183900     -0.5451000    
 H    2.532600      0.3028000      -1.493500    
 H   -3.189300     -0.5594000     -0.4794000    
 H    4.648600       1.192600     -0.4822000    
 H    4.816700     -0.2994000      0.4715000    
 H    4.913300     -0.3554000      -1.292000    
 H   -3.642100       1.832900     -0.5838000    
 H   -2.360000       2.991500     -0.2632000    


%chk=000096823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096823

0 1
S 2.049464 1.520136 -1.124753
O -0.869791 -2.517314 0.089925
N -0.548203 1.540914 -0.346080
N 0.444774 -0.635149 -0.451582
N -2.797998 1.946069 0.276295
C 0.516642 0.658777 -0.584416
C -1.785694 1.023128 0.065035
C 3.205590 0.013597 -1.231637
C -1.917156 -0.350182 0.222965
C 3.849367 -0.324716 0.116464
C -0.801957 -1.261078 -0.033989
H -0.415205 2.544110 -0.490057
H 2.564212 -0.809220 -1.587960
H 3.938294 0.294096 -2.006494
H -2.866075 -0.783127 0.548169
H 4.433139 0.521501 0.518570
H 3.075843 -0.609412 0.848990
H 4.531282 -1.187982 -0.007382
H -3.715584 1.614600 0.558831
H -2.645644 2.949650 0.224107


