%chk=000134967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134967

0 1
 S   -4.505400      0.2266000      7.8599997E-02
 N   0.1816000      -1.118600     -0.1330000    
 N   0.1697000       1.158400     -0.8044000    
 N   -2.127300      0.4784000       1.060300    
 C  -0.6359000     -7.9599999E-02 -0.8081000    
 C    1.446300     -0.5629000      3.1300001E-02
 C    1.442000      0.7789000     -0.3763000    
 C   -2.002800      9.7400002E-02 -0.2577000    
 C  -5.8200002E-02  -2.533600     -0.2665000    
 C    2.605300      -1.144000      0.5168000    
 C    2.568400       1.573600     -0.2678000    
 C    3.757300     -0.3576000      0.6093000    
 C    3.737900      0.9920000      0.2240000    
 C   -3.173100     -8.7099999E-02 -0.9549000    
 C   -3.405900      0.5781000       1.348400    
 H  -0.7234000     -0.3814000      -1.862300    
 H  -4.1999999E-03   1.954900      -1.399700    
 H   0.3507000      -3.085500      0.5860000    
 H   0.3950000      -2.919200      -1.185800    
 H   -1.132000      -2.743200     -0.3047000    
 H    2.632500      -2.181800      0.8314000    
 H    2.553000       2.618200     -0.5595000    
 H    4.677000     -0.7928000      0.9910000    
 H    4.641700       1.588700      0.3125000    
 H   -3.313700     -0.3818000      -1.985200    
 H   -3.753100      0.8654000       2.331400    


%chk=000134967-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000134967

0 1
S -4.583945 -0.159389 0.220758
N 0.201991 -1.086850 -0.216972
N 0.175058 1.195234 -0.763919
N -2.231758 0.961862 0.767846
C -0.624264 -0.042735 -0.909909
C 1.504479 -0.569777 -0.034913
C 1.484018 0.829040 -0.320970
C -2.019815 0.102481 -0.326961
C -0.088740 -2.496881 -0.434592
C 2.684443 -1.198305 0.401223
C 2.627444 1.620322 -0.158954
C 3.848694 -0.394900 0.563489
C 3.821876 0.991412 0.298071
C -3.148574 -0.567979 -0.770630
C -3.485412 0.949883 1.172659
H -0.730385 -0.324667 -1.987602
H -0.300686 1.948452 -0.255828
H 0.490556 -3.110898 0.275709
H 0.155071 -2.836841 -1.468228
H -1.158953 -2.694551 -0.244386
H 2.715469 -2.270502 0.622399
H 2.607700 2.691162 -0.387192
H 4.779702 -0.866632 0.897299
H 4.729547 1.590338 0.428955
H -3.241803 -1.256262 -1.608199
H -3.888314 1.538482 1.995948


