%chk=000127649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127649

0 1
 S    2.909400      0.6997000     -0.1820000    
 N   -2.966600      5.2400000E-02  0.2113000    
 N    1.704900      -1.574900      0.1206000    
 C   -1.588500      0.2731000     -0.2221000    
 C   -1.065300       1.617200      0.3338000    
 C  -0.7063000     -0.9106000      0.2363000    
 C   0.3650000       1.924200     -0.1515000    
 C   0.7414000     -0.5887000      8.5100003E-02
 C    1.211700      0.7006000     -6.5600000E-02
 C   -3.492600      -1.181000     -0.3524000    
 C    2.887000      -1.011900     -1.3500000E-02
 H   -1.558700      0.3392000      -1.319300    
 H   -1.072800       1.585000       1.432100    
 H   -1.724900       2.442000      3.6899999E-02
 H  -0.9186000      -1.810600     -0.3524000    
 H  -0.8933000      -1.147500       1.291700    
 H   0.7863000       2.740300      0.4459000    
 H   0.3282000       2.260300      -1.194900    
 H   -3.542600      0.8347000     -9.9100001E-02
 H   -3.346700      -1.239300      -1.436300    
 H   -4.572000      -1.219600     -0.1692000    
 H   -3.072600      -2.070600      0.1262000    
 H    3.801600      -1.588800     -1.7999999E-02


%chk=000127649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127649

0 1
S 3.043861 0.775488 -0.220396
N -2.967864 0.013915 0.186501
N 1.803377 -1.554302 0.169686
C -1.567117 0.230952 -0.238445
C -1.069672 1.581808 0.332492
C -0.661514 -0.925929 0.258563
C 0.350058 1.943957 -0.180537
C 0.798520 -0.568304 0.112677
C 1.241106 0.732781 -0.082950
C -3.645841 -1.158579 -0.401094
C 3.007330 -1.040907 0.020344
H -1.474329 0.275318 -1.356958
H -1.069735 1.513769 1.436713
H -1.773390 2.390838 0.051551
H -0.857764 -1.857320 -0.302909
H -0.906412 -1.130398 1.319384
H 0.756897 2.785507 0.411095
H 0.297924 2.294022 -1.231539
H -3.522174 0.871577 0.062073
H -3.592827 -1.203816 -1.516826
H -4.710079 -1.149555 -0.106666
H -3.206712 -2.092266 -0.007523
H 3.940358 -1.603355 0.028365


