%chk=000155066.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155066

0 1
 S    1.549000      -3.297000      0.4845000    
 N    1.440400     -0.7964000     -0.1618000    
 N  -0.6279000      -1.970100     -0.1900000    
 C    3.791600     -0.1070000      3.1399999E-02
 C    5.799500       1.822000     -0.1425000    
 C    2.757500      -1.099400      0.1199000    
 C    5.092900     -0.4831000     -0.3009000    
 C    3.494000       1.233600      0.2767000    
 C    6.096900      0.4813000     -0.3877000    
 C    4.498000       2.198000      0.1899000    
 C    6.872700       2.853200     -0.2373000    
 C    3.012500      -2.403000      0.4878000    
 C   0.7130000      -1.879700     -2.6000000E-03
 C   -4.820500      0.5846000      5.1399998E-02
 C   -5.589200     -0.2790000     -0.7122000    
 C   -5.389800       1.654600      0.7228000    
 C   -3.367500      0.3606000      0.1512000    
 C   -6.964500     -6.6900000E-02 -0.8070000    
 C   -6.765300       1.866500      0.6280000    
 C   -7.552500       1.005800     -0.1370000    
 C   -2.754600     -0.8016000     -0.1096000    
 C   -1.286200     -0.8771000      4.5100000E-02
 H    5.359900      -1.514300     -0.5172000    
 H    2.488100       1.550600      0.5415000    
 H    7.106000      0.1771000     -0.6532000    
 H    4.253700       3.239400      0.3821000    
 H    6.682500       3.685800      0.4485000    
 H    7.848300       2.433900      3.1300001E-02
 H    6.928000       3.244900      -1.257800    
 H    3.942000      -2.880200      0.7660000    
 H   -5.171100      -1.113500      -1.266200    
 H   -4.790200       2.333100       1.323700    
 H   -2.784700       1.220600      0.4746000    
 H   -7.577500     -0.7339000      -1.406300    
 H   -7.223500       2.701600       1.149600    
 H   -8.623300       1.171500     -0.2117000    
 H   -3.261200      -1.709000     -0.4129000    
 H  -0.7946000      5.5000000E-02  0.3831000    


%chk=000155066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155066

0 1
S 1.543807 -3.452194 -0.384052
N 1.561701 -0.788838 -0.137435
N -0.674790 -1.813402 -0.232129
C 3.972733 -0.171913 -0.082080
C 6.008777 1.848367 0.092852
C 2.903112 -1.189976 -0.172958
C 5.349398 -0.522671 -0.056743
C 3.631494 1.205471 -0.013357
C 6.344808 0.470144 0.030250
C 4.632630 2.193258 0.073493
C 7.087152 2.915336 0.154740
C 3.088115 -2.572919 -0.300010
C 0.704634 -1.806199 -0.231211
C -4.995126 0.585649 0.064001
C -5.868317 -0.534044 -0.088633
C -5.579218 1.875650 0.239033
C -3.535255 0.468787 0.050100
C -7.265035 -0.364034 -0.065271
C -6.978193 2.044796 0.262492
C -7.828559 0.924689 0.110457
C -2.792118 -0.684339 -0.097940
C -1.350627 -0.677314 -0.092030
H 5.652815 -1.575069 -0.097069
H 2.572117 1.479111 -0.026292
H 7.400619 0.173036 0.052640
H 4.342874 3.249924 0.128320
H 6.728770 3.823877 0.669939
H 7.986233 2.553375 0.684277
H 7.405488 3.218488 -0.862055
H 4.024528 -3.123117 -0.354752
H -5.451567 -1.537533 -0.225761
H -4.922327 2.746400 0.357532
H -2.981922 1.412758 0.174435
H -7.920802 -1.233663 -0.183741
H -7.405804 3.044085 0.398580
H -8.916519 1.051625 0.128023
H -3.263842 -1.665919 -0.225745
H -0.829384 0.290817 0.033300


