%chk=000045202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045202

0 1
 S    3.274100       1.509400     -0.9685000    
 S   -3.211500      0.7965000       1.480400    
 S    3.930800       1.000800      0.9087000    
 S   -4.419900     -0.7400000      0.8535000    
 N  -4.3099999E-02 -0.7912000     -0.5068000    
 N    6.095000     -0.7390000      0.2632000    
 N   -6.042900      0.6067000      -1.064700    
 C   0.9400000      0.2581000     -0.2397000    
 C   -1.158300     -0.6985000      0.4348000    
 C    2.044600      0.2112000      -1.288200    
 C   -1.824000      0.6668000      0.3156000    
 C   0.5834000      -2.110300     -0.4288000    
 C    5.213400     -3.1099999E-02  0.5237000    
 C   -5.381700      6.0699999E-02 -0.2832000    
 H    1.317100      0.1531000      0.7828000    
 H   0.5011000       1.254600     -0.3353000    
 H  -0.8137000     -0.8710000       1.463700    
 H   -1.864600      -1.496100      0.1853000    
 H    1.633400      0.3743000      -2.290500    
 H    2.594400     -0.7331000      -1.306200    
 H   -2.176300      0.8665000     -0.7022000    
 H   -1.171400       1.488400      0.6157000    
 H  -0.1773000      -2.899500     -0.4750000    
 H    1.150400      -2.252500      0.4985000    
 H    1.236500      -2.305700      -1.284500    


%chk=000045202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045202

0 1
S 3.407876 1.794113 -0.402721
S -3.623078 1.089313 1.013514
S 4.839905 0.271295 0.580355
S -4.815700 -0.815160 0.473355
N 0.057881 -0.694866 0.066329
N 6.107833 -0.978920 -1.759583
N -5.751098 -0.198326 -2.244940
C 1.162086 0.213281 0.446799
C -1.216630 -0.466753 0.778873
C 1.942915 0.659646 -0.802263
C -1.985567 0.705203 0.141333
C 0.461082 -2.112316 -0.044493
C 5.577956 -0.445400 -0.823221
C -5.358591 -0.420008 -1.131925
H 1.860729 -0.269396 1.169896
H 0.750712 1.106905 0.950505
H -1.079852 -0.275018 1.869005
H -1.833085 -1.379737 0.686740
H 1.312018 1.277666 -1.468618
H 2.324713 -0.190481 -1.390317
H -2.184771 0.523903 -0.926937
H -1.436505 1.662600 0.235650
H -0.353751 -2.699250 -0.502182
H 0.719014 -2.573329 0.938965
H 1.343406 -2.205865 -0.701820


