%chk=000005139.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005139

0 1
 S  -0.3342000     -0.5584000      0.6805000    
 N    2.049800     -0.9566000     -0.3873000    
 N    1.492600       1.287500      9.4200000E-02
 C   -1.499600      0.2981000     -0.4010000    
 C   -2.925900     -9.3000002E-02 -6.3500002E-02
 C    1.217300      2.2500001E-02  7.7000000E-02
 H   -1.382700       1.380200     -0.2879000    
 H   -1.280200      4.0199999E-02  -1.442000    
 H   -3.090300      -1.168100     -0.1943000    
 H   -3.184300      0.1765000      0.9663000    
 H   -3.622600      0.4304000     -0.7267000    
 H    2.967200     -0.7357000     -0.7589000    
 H    1.773800      -1.932400     -0.3752000    
 H   0.7019000       1.797400      0.5014000    


%chk=000005139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005139

0 1
S -0.388812 -0.887740 0.390580
N 2.261191 -1.011302 -0.094995
N 1.461678 1.161022 -0.461826
C -1.596622 0.430938 -0.233291
C -3.033261 -0.088687 -0.074210
C 1.240483 -0.077684 -0.126911
H -1.442337 1.347244 0.363158
H -1.353794 0.635134 -1.289925
H -3.195999 -1.004690 -0.668353
H -3.265456 -0.315119 0.981470
H -3.748374 0.678917 -0.423212
H 3.206781 -0.683765 -0.284375
H 2.070954 -2.007016 -0.023840
H 0.666369 1.811348 -0.371671


