%chk=000051521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051521

0 1
 S   -3.938000      -1.103300     -0.2662000    
 N   0.1144000       1.775000     -0.1038000    
 N   0.5901000     -0.5398000     -0.4337000    
 N   -1.623100      0.2067000     -0.2917000    
 N   -1.622800      -2.064800      0.3646000    
 N    4.729700     -0.7969000      0.2583000    
 C  -0.9235000       2.808900      1.4300000E-02
 C   -1.820700       2.458300       1.200800    
 C  -0.2260000       4.149000      0.2450000    
 C   -1.726900       2.837200      -1.285600    
 C  -0.2690000      0.5507000     -0.3008000    
 C    1.982500     -0.6263000     -0.2008000    
 C   -2.245700     -0.9878000     -4.1200001E-02
 C    2.718700      -1.653400     -0.7750000    
 C    2.611100      0.3162000      0.6013000    
 C    4.079300      -1.694000     -0.5165000    
 C    3.976600      0.1875000      0.7982000    
 C   -3.856200      -2.746300      0.2185000    
 C   -2.550400      -3.077000      0.5143000    
 H   -1.282600       1.902300       1.978100    
 H   -2.167400       3.383100       1.682000    
 H   -2.751200       1.931600      0.9761000    
 H   0.4672000       4.379700     -0.5724000    
 H   0.3627000       4.130500       1.169600    
 H  -0.9472000       4.970400      0.3197000    
 H   -1.413400       2.108500      -2.041600    
 H   -2.808600       2.751800      -1.128400    
 H   -1.603300       3.808900      -1.783000    
 H   0.1942000      -1.394400     -0.8159000    
 H   -2.298300      0.9067000     -0.5514000    
 H    2.257000      -2.404700      -1.406900    
 H    2.091100       1.117800       1.109300    
 H    4.702000      -2.475200     -0.9399000    
 H    4.516600      0.8907000       1.423700    
 H   -4.736900      -3.370800      0.2633000    
 H   -2.218300      -4.051500      0.8458000    


%chk=000051521-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051521

0 1
S -4.155356 -1.512588 -0.154534
N -0.049112 1.723159 0.080705
N 0.451444 -0.600673 -0.028470
N -1.820069 0.046635 -0.036319
N -1.614576 -2.359679 -0.153443
N 4.725173 -0.770007 0.034682
C -0.915723 2.937746 0.123753
C -1.819953 2.969938 1.393471
C 0.073058 4.130723 0.208247
C -1.759432 3.102293 -1.176685
C -0.430686 0.479981 0.010334
C 1.857188 -0.585933 -0.004051
C -2.329074 -1.235386 -0.109091
C 2.523629 -1.846014 -0.052715
C 2.665384 0.582339 0.064787
C 3.929626 -1.883257 -0.031124
C 4.068086 0.428918 0.080544
C -3.789197 -3.281416 -0.236929
C -2.427644 -3.497451 -0.224518
H -1.205169 2.802763 2.295403
H -2.306642 3.957885 1.482750
H -2.623451 2.208939 1.390677
H 0.743196 4.128009 -0.669094
H 0.698581 4.039626 1.113380
H -0.466736 5.094924 0.242620
H -1.102601 3.029578 -2.061396
H -2.559491 2.345907 -1.291759
H -2.244512 4.095077 -1.185718
H -0.009741 -1.535009 -0.083465
H -2.492509 0.811151 -0.004817
H 1.950385 -2.778735 -0.106380
H 2.190579 1.562612 0.104137
H 4.456128 -2.844140 -0.067813
H 4.709724 1.316709 0.133001
H -4.602164 -4.000837 -0.286577
H -1.954642 -4.478487 -0.265494


