%chk=000138728.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138728

0 1
 S    2.115300       1.023400      0.7098000    
 O   -2.706200       1.302100     -3.4600001E-02
 N   0.4993000      -1.129300      6.8800002E-02
 N  -0.4401000       1.063100      0.2959000    
 C   0.5714000      0.2417000      0.3203000    
 C  -0.7547000      -1.627700     -0.2279000    
 C    1.647200      -2.032500      0.1080000    
 C   -1.851000     -0.8671000     -0.2770000    
 C   -1.706800      0.5893000      3.5999999E-03
 C    2.625600       1.437000     -0.9669000    
 H  -0.8012000      -2.692700     -0.4235000    
 H    1.359800      -3.076700     -6.1000001E-02
 H    2.137300      -1.988400       1.086300    
 H    2.372100      -1.765200     -0.6674000    
 H   -2.829500      -1.266700     -0.5105000    
 H    1.899500       2.109300      -1.432400    
 H    2.720500      0.5353000      -1.577400    
 H    3.595600       1.940300     -0.9377000    


%chk=000138728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138728

0 1
S 2.625162 0.245041 -0.436228
O -2.335521 1.483572 -0.673381
N 0.501893 -1.432466 0.026460
N -0.074150 0.827741 -0.543221
C 0.813222 -0.107717 -0.317698
C -0.859033 -1.749663 0.132936
C 1.545906 -2.450336 0.271384
C -1.838042 -0.812527 -0.090155
C -1.487224 0.574282 -0.453298
C 2.547710 2.066681 -0.899827
H -1.082680 -2.785268 0.403244
H 1.060405 -3.411792 0.499196
H 2.182549 -2.158256 1.124740
H 2.183574 -2.574741 -0.621052
H -2.893621 -1.079343 -0.003173
H 1.473206 2.319601 -0.950139
H 3.033859 2.195379 -1.876976
H 3.056885 2.645011 -0.116412


