%chk=000116345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116345

0 1
 S    1.903300      0.7047000     -0.6984000    
 N   -1.864600     -0.5174000      0.2027000    
 N    4.102100      0.8003000      0.7519000    
 N    3.566400      -1.308400     -0.1673000    
 C   -3.163300     -6.8000004E-02 -0.2366000    
 C  -0.7926000      0.2650000     -0.4096000    
 C   -3.377300       1.390000      0.1488000    
 C   -4.259300     -0.9573000      0.3373000    
 C   0.5606000     -0.2592000      5.4600000E-02
 C    3.324700     -4.9699999E-02  1.6600000E-02
 H   -3.231000     -0.1520000      -1.329100    
 H   -1.793100     -0.4620000       1.218400    
 H  -0.8537000       1.319800     -0.1218000    
 H  -0.8613000      0.1974000      -1.502500    
 H   -4.424900       1.673900     -7.0000002E-03
 H   -3.148900       1.572800       1.205100    
 H   -2.785100       2.078400     -0.4623000    
 H   -4.110100      -2.002700      4.4799998E-02
 H   -5.243900     -0.6484000     -3.0400001E-02
 H   -4.280800     -0.9126000       1.432100    
 H   0.6729000      -1.312000     -0.2258000    
 H   0.6493000     -0.1872000       1.144300    
 H    4.946100      0.4772000       1.212100    
 H    3.856700       1.778400      0.8599000    
 H    2.834000      -1.707000     -0.7638000    


%chk=000116345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116345

0 1
S 1.995301 0.923581 -0.499379
N -1.879813 -0.316617 0.259362
N 4.583261 0.655122 0.210372
N 3.428467 -1.359126 0.536996
C -3.234193 -0.003281 -0.270964
C -0.770211 0.556899 -0.173847
C -3.772364 1.392824 0.149714
C -4.201711 -1.125553 0.156328
C 0.560412 -0.187905 0.039674
C 3.432156 -0.111595 0.167334
H -3.146830 -0.021233 -1.376801
H -1.898153 -0.441392 1.282028
H -0.729148 1.542811 0.346397
H -0.904533 0.767333 -1.252151
H -4.750949 1.598089 -0.323438
H -3.907494 1.442193 1.247784
H -3.077368 2.199146 -0.148334
H -3.829124 -2.105543 -0.187707
H -5.210047 -0.958869 -0.263081
H -4.298520 -1.160794 1.259655
H 0.567982 -1.111762 -0.561401
H 0.711835 -0.435367 1.105611
H 5.449643 0.192363 0.479144
H 4.554896 1.665278 0.104306
H 2.552706 -1.882601 0.386401


