%chk=000025799.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025799

0 1
 S    2.953400      0.2379000      0.1976000    
 N   -1.071500      1.6300000E-02 -0.3125000    
 C   0.2242000      0.5382000      0.1206000    
 C    1.337200     -0.3978000     -0.3341000    
 C   -2.147000      0.9235000      8.6099997E-02
 C   -1.296400      -1.318000      0.2422000    
 H   0.2491000      0.6634000       1.211800    
 H   0.3814000       1.527800     -0.3280000    
 H    1.345600     -0.5035000      -1.424000    
 H    1.263600      -1.393600      0.1092000    
 H   -1.994900       1.917200     -0.3499000    
 H   -2.216000       1.031100       1.174800    
 H   -3.112700      0.5645000     -0.2870000    
 H   -2.329500      -1.637700      5.7200000E-02
 H   -1.128500      -1.358100       1.324700    
 H  -0.6796000      -2.076100     -0.2500000    
 H    3.687800     -0.7519000     -0.3310000    


%chk=000025799-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025799

0 1
S 3.060917 0.269217 0.226343
N -1.061169 -0.079125 -0.181268
C 0.270126 0.387857 0.272944
C 1.397361 -0.363356 -0.457383
C -2.112603 0.948806 -0.038572
C -1.466809 -1.365065 0.422775
H 0.401117 0.280800 1.379597
H 0.358669 1.464797 0.039027
H 1.344675 -0.159060 -1.537778
H 1.343752 -1.449703 -0.281534
H -1.816435 1.865497 -0.578302
H -2.327239 1.224599 1.025229
H -3.052386 0.579350 -0.487559
H -2.403963 -1.714654 -0.046197
H -1.635846 -1.295054 1.527690
H -0.697221 -2.135528 0.244607
H 3.863254 -0.476178 -0.621921


