%chk=000003155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003155

0 1
 S    2.973600      -1.364000       1.216200    
 N   -4.385800       1.092000      0.1207000    
 C   0.3371000      0.3980000      3.0800000E-02
 C  -5.3500000E-02 -0.9891000     -0.2873000    
 C    1.725600      0.9178000     -7.3700003E-02
 C   0.3907000      -2.036100      0.5370000    
 C   -2.041800      0.7406000      0.7458000    
 C  -0.6345000       1.193000      0.5205000    
 C   -3.020700       1.558700     -9.5500000E-02
 C    1.270600      -1.742500       1.719500    
 C    2.873400      0.2363000      0.3907000    
 C  -0.8586000      -1.269000      -1.401100    
 C   2.3600001E-02  -3.353700      0.2294000    
 C    1.898100       2.156000     -0.7354000    
 C    4.139300      0.8313000      0.1932000    
 C   -1.219500      -2.583800      -1.693100    
 C  -0.7792000      -3.624600     -0.8790000    
 C    3.158000       2.724200     -0.9146000    
 C    4.280600       2.061900     -0.4466000    
 C   -5.325400       1.845800     -0.7108000    
 C   -4.751800       1.207400       1.533200    
 H   -2.214900      0.9253000       1.813900    
 H   -2.226300     -0.3279000      0.6130000    
 H  -0.4126000       2.214900      0.8220000    
 H   -2.923800       2.627100      0.1416000    
 H   -2.761100       1.440100      -1.155500    
 H   0.8605000     -0.9354000       2.337000    
 H    1.314400      -2.619700       2.375400    
 H   -1.202800     -0.4707000      -2.054300    
 H   0.3624000      -4.179000      0.8505000    
 H    1.040700       2.695500      -1.135400    
 H    5.047100      0.3372000      0.5382000    
 H   -1.841800      -2.796300      -2.557500    
 H   -1.058700      -4.648800      -1.108600    
 H    3.258000       3.677800      -1.424200    
 H    5.267300       2.494000     -0.5834000    
 H   -5.072000       1.739000      -1.771500    
 H   -5.332500       2.913500     -0.4631000    
 H   -6.342900       1.456700     -0.5928000    
 H   -5.821100       1.001900       1.667000    
 H   -4.554100       2.206700       1.938000    
 H   -4.244400      0.4590000       2.149900    


%chk=000003155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003155

0 1
S 3.127779 -1.377976 1.297617
N -4.520517 1.308457 0.302116
C 0.298880 0.291277 0.230108
C 0.021689 -1.113697 -0.228909
C 1.682395 0.846608 0.021811
C 0.544415 -2.222923 0.495809
C -2.142488 0.727858 0.944803
C -0.690451 1.093536 0.733508
C -3.085647 1.590712 0.063099
C 1.362596 -1.949834 1.727164
C 2.907820 0.212475 0.392670
C -0.746653 -1.353196 -1.395132
C 0.291007 -3.540577 0.044985
C 1.776841 2.110159 -0.637045
C 4.151149 0.833818 0.097213
C -0.999098 -2.670731 -1.838754
C -0.478478 -3.769209 -1.117085
C 3.008249 2.730787 -0.918982
C 4.209309 2.081016 -0.552274
C -5.372495 1.784103 -0.807599
C -5.003656 1.801500 1.607430
H -2.395512 0.893856 2.011819
H -2.331344 -0.336228 0.724877
H -0.408171 2.112351 1.041761
H -2.846186 2.677241 0.216995
H -2.869206 1.364451 -0.998341
H 0.916716 -1.170118 2.364936
H 1.540791 -2.855739 2.328865
H -1.138607 -0.498580 -1.958013
H 0.698692 -4.388794 0.607987
H 0.844347 2.588112 -0.956657
H 5.079886 0.333330 0.395516
H -1.595912 -2.838413 -2.742089
H -0.670529 -4.793086 -1.456331
H 3.031816 3.697669 -1.432772
H 5.181659 2.536558 -0.768902
H -5.038986 1.326546 -1.756057
H -5.360228 2.897229 -0.936529
H -6.418686 1.475781 -0.630147
H -6.063399 1.518655 1.737674
H -4.926159 2.915121 1.711855
H -4.432427 1.340999 2.431097


