%chk=000116518.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116518

0 1
 S    3.912600       1.625900      0.2457000    
 N    1.302300     -0.4492000     -0.3122000    
 N    3.252600      -1.281000      -1.447900    
 C  -0.6767000      0.3688000      0.8259000    
 C   -1.107200       1.119000     -0.4457000    
 C   -1.274500      -1.038900      0.9602000    
 C   -2.565200       1.570000     -0.4080000    
 C   -2.799800      -1.116600      0.8962000    
 C   -3.576000      0.5441000     -0.9090000    
 C   -3.342400     -0.9100000     -0.5137000    
 C   0.8532000      0.2704000      0.8716000    
 C    2.577300     -0.6328000     -0.4376000    
 C    3.443900     -6.9600001E-02  0.6745000    
 H  -0.9915000      0.9546000       1.700100    
 H  -0.9170000      0.5273000      -1.349000    
 H  -0.4925000       2.024700     -0.5335000    
 H  -0.9630000      -1.451700       1.929100    
 H  -0.8590000      -1.712900      0.2008000    
 H   -2.671100       2.467200      -1.031500    
 H   -2.833300       1.885400      0.6080000    
 H   -3.260700     -0.4223000       1.607800    
 H   -3.086900      -2.125900       1.218500    
 H   -3.622400      0.5935000      -2.004500    
 H   -4.569500      0.8526000     -0.5588000    
 H   -4.301400      -1.436200     -0.6038000    
 H   -2.675500      -1.385200      -1.244000    
 H    1.098700     -0.2647000       1.796300    
 H    1.239000       1.292800      0.9188000    
 H    3.049900     -0.1330000       1.687200    
 H    4.373800     -0.6508000      0.7045000    
 H    2.750900      -1.690400      -2.228600    
 H    4.263500      -1.365600      -1.453100    
 H    4.717800       1.832300       1.297900    


%chk=000116518-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116518

0 1
S 5.046025 1.094394 -0.477383
N 1.328012 -0.470045 0.004859
N 3.112026 -1.116676 -1.349841
C -0.818530 0.292777 0.993212
C -1.182524 1.142888 -0.253944
C -1.415945 -1.138813 1.012057
C -2.675826 1.553679 -0.321441
C -2.937661 -1.268572 0.750456
C -3.619325 0.539742 -1.022510
C -3.341783 -0.956422 -0.714555
C 0.723800 0.216445 1.164184
C 2.609072 -0.416450 -0.258863
C 3.667416 0.295997 0.589635
H -1.206182 0.839665 1.882682
H -0.877224 0.602744 -1.170761
H -0.563253 2.063793 -0.221232
H -1.181843 -1.588890 2.000569
H -0.870502 -1.740333 0.258108
H -2.769204 2.525434 -0.846814
H -3.033371 1.735661 0.713113
H -3.510142 -0.625110 1.450769
H -3.229750 -2.312300 0.984557
H -3.558841 0.684268 -2.120446
H -4.662852 0.784535 -0.736855
H -4.246173 -1.537269 -0.986355
H -2.531495 -1.326768 -1.374158
H 0.947759 -0.339562 2.102390
H 1.111106 1.253971 1.299214
H 3.204545 1.087128 1.195490
H 4.150535 -0.436983 1.258076
H 2.447328 -1.616126 -1.937331
H 4.072891 -0.971911 -1.656144
H 6.061812 0.940909 0.451461


