%chk=000100930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100930

0 1
 S   -2.481200      2.7700000E-02  0.8152000    
 N   0.6254000      -1.213000     -0.1673000    
 N    2.036200       1.193700      0.1228000    
 C   -1.419500     -3.1000001E-03 -0.6624000    
 C   3.0700000E-02 -1.3700000E-02 -0.3249000    
 C   0.7236000       1.168400     -0.1824000    
 C    1.937900      -1.187700      0.1375000    
 C   -4.084100      3.3399999E-02 -1.8500000E-02
 C    2.630900     -5.7000001E-03  0.2801000    
 H   -1.653800      0.8613000      -1.293900    
 H   -1.659600     -0.9011000      -1.243100    
 H   0.2550000       2.137700     -0.3060000    
 H    2.416400      -2.150900      0.2643000    
 H   -4.879900      5.0900001E-02  0.7309000    
 H   -4.201000     -0.8671000     -0.6272000    
 H   -4.182800      0.9203000     -0.6498000    
 H    3.685600      1.3700000E-02  0.5253000    


%chk=000100930-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100930

0 1
S -2.485956 0.133134 0.816955
N 0.727511 -1.259653 -0.306953
N 2.010522 1.229099 0.271347
C -1.414035 -0.130846 -0.742139
C 0.042426 -0.073044 -0.366257
C 0.693002 1.158891 -0.074753
C 2.046894 -1.190148 0.041131
C -4.169698 0.136832 -0.024560
C 2.683726 0.039261 0.329294
H -1.680480 0.668366 -1.455399
H -1.647333 -1.120506 -1.164221
H 0.145604 2.106327 -0.115249
H 2.592133 -2.138718 0.085634
H -4.915385 0.291660 0.770797
H -4.354844 -0.830406 -0.518487
H -4.235536 0.959694 -0.754995
H 3.741250 0.084858 0.608455


