%chk=000080238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080238

0 1
 S  -9.7700000E-02  9.7000003E-02   2.182200    
 P   5.2999998E-03  2.2100000E-02  0.2143000    
 N   0.4700000      -1.463000     -0.4137000    
 N   -1.427500      0.3512000     -0.5960000    
 N    1.086300       1.089900     -0.4977000    
 C  -0.3927000      -2.627900     -0.2744000    
 C   -2.163800       1.578800     -0.3283000    
 C    2.520100      0.9518000     -0.2864000    
 H    1.423500      -1.744800     -0.1868000    
 H   -1.384700      0.2161000      -1.606000    
 H   0.9284000       1.251100      -1.492600    
 H   3.0800000E-02  -3.469400     -0.8309000    
 H   -1.389900      -2.432500     -0.6780000    
 H  -0.4862000      -2.922800      0.7743000    
 H   -3.087900       1.590100     -0.9140000    
 H   -1.572200       2.456500     -0.6036000    
 H   -2.441800       1.653000      0.7262000    
 H    2.904600      4.9500000E-02 -0.7698000    
 H    2.758800      0.9120000      0.7798000    
 H    3.040400       1.815200     -0.7118000    


%chk=000080238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080238

0 1
S 0.213777 0.259360 2.085653
P 0.238035 -0.125540 0.027093
N 0.258542 -1.744183 -0.657157
N -1.218874 0.446847 -0.732465
N 1.725499 0.423463 -0.707571
C -0.832514 -2.696069 -0.353258
C -2.081150 1.503506 -0.191098
C 2.596321 1.455852 -0.128404
H 1.199676 -2.153842 -0.630749
H -1.383576 0.129028 -1.690486
H 1.834359 0.218785 -1.704509
H -0.833924 -3.500990 -1.109303
H -1.798072 -2.166685 -0.410290
H -0.747593 -3.147542 0.656019
H -3.145708 1.217339 -0.281463
H -1.928782 2.480289 -0.692588
H -1.850446 1.622016 0.883195
H 3.657807 1.168828 -0.244792
H 2.377678 1.528134 0.952163
H 2.442745 2.455304 -0.583190


