%chk=000036098.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036098

0 1
 S    1.369700       1.340100      0.2391000    
 N   0.5579000      -1.067100     -0.2394000    
 C  -0.5468000     -0.2388000     -0.2747000    
 C   -1.863100     -0.8478000     -0.5555000    
 C  -0.3051000       1.098600     -4.0100001E-02
 C    1.623400     -0.3433000      2.2800000E-02
 C   -2.592500      -1.299400      0.7136000    
 C   -1.238700       2.242200     -4.6999999E-03
 C    2.995300     -0.8845000      0.1388000    
 H   -2.500600     -0.1448000      -1.104900    
 H   -1.730200      -1.716300      -1.212300    
 H   -2.000400      -2.038500       1.263800    
 H   -3.554200      -1.753600      0.4555000    
 H   -2.781500     -0.4533000       1.382600    
 H  -0.8518000       3.075400      0.5914000    
 H   -1.427100       2.609300      -1.018900    
 H   -2.199000       1.951200      0.4333000    
 H    2.995800      -1.967400     -2.3499999E-02
 H    3.659300     -0.4357000     -0.6070000    
 H    3.408900     -0.6968000       1.135000    


%chk=000036098-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036098

0 1
S 1.447324 1.483100 0.110958
N 0.481835 -0.983882 -0.132409
C -0.628344 -0.114915 -0.244988
C -1.989078 -0.743600 -0.445723
C -0.338577 1.240833 -0.143736
C 1.624816 -0.355821 0.052791
C -2.442606 -1.569611 0.785264
C -1.248039 2.436500 -0.211444
C 2.972265 -0.997167 0.204051
H -2.740008 0.033287 -0.675897
H -1.936195 -1.412331 -1.326331
H -1.689530 -2.341424 1.020467
H -3.408215 -2.070277 0.588197
H -2.561760 -0.924556 1.674660
H -1.208367 3.033970 0.718403
H -0.980293 3.108257 -1.048249
H -2.293412 2.116804 -0.359188
H 2.853320 -2.090743 0.139671
H 3.669970 -0.670356 -0.588596
H 3.434193 -0.748567 1.176998


