%chk=000157283.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157283

0 1
 S    3.351900       1.433100     -0.3939000    
 N    2.055700     -0.7196000      0.1646000    
 N   0.7954000      0.7348000      -1.080900    
 C   0.7741000      -1.346000      0.2751000    
 C  -2.5400000E-02 -0.5078000     -0.7729000    
 C    3.170500     -0.8462000       1.064500    
 C    1.927000      0.4519000     -0.5049000    
 C    4.250900      8.8500001E-02  0.4950000    
 C   -1.423800     -0.1824000     -0.3058000    
 C   -2.476900      -1.050900     -0.5956000    
 C   -1.664800      0.9874000      0.4157000    
 C   -3.769000     -0.7501000     -0.1646000    
 C   -2.956800       1.288100      0.8470000    
 C   -4.008900      0.4193000      0.5568000    
 H   0.3710000      -1.239700       1.288300    
 H   0.8025000      -2.406100      5.5999998E-03
 H  -8.3800003E-02  -1.067200      -1.717100    
 H    3.531600      -1.877400       1.126700    
 H    2.881600     -0.5204000       2.070700    
 H    4.898600      0.4937000       1.276900    
 H    4.866500     -0.4423000     -0.2386000    
 H   -2.302100      -1.966100      -1.155000    
 H  -0.8613000       1.674500      0.6656000    
 H   -4.588100      -1.426800     -0.3899000    
 H   -3.143500       2.197100       1.411200    
 H   -5.014700      0.6531000      0.8932000    


%chk=000157283-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157283

0 1
S 3.490102 1.518941 -0.189925
N 2.145381 -0.798618 0.045917
N 0.825704 0.871887 -0.918812
C 0.767755 -1.335098 0.184014
C -0.027135 -0.374879 -0.798430
C 3.221100 -0.953010 1.037280
C 1.987861 0.526337 -0.432073
C 4.355638 -0.022722 0.546911
C -1.449098 -0.091768 -0.333829
C -2.446723 -1.090328 -0.473498
C -1.790476 1.143100 0.268221
C -3.760134 -0.865612 -0.004600
C -3.105560 1.370944 0.733795
C -4.093437 0.367343 0.603880
H 0.400139 -1.228850 1.228398
H 0.703003 -2.393036 -0.118439
H -0.062555 -0.848123 -1.801575
H 3.578705 -1.997309 1.075644
H 2.881991 -0.658110 2.056812
H 5.009090 0.310302 1.366142
H 4.944919 -0.488680 -0.256728
H -2.199238 -2.044286 -0.957759
H -1.022087 1.919335 0.340551
H -4.522543 -1.644551 -0.120124
H -3.361237 2.333445 1.191795
H -5.112963 0.545847 0.964132


