%chk=000085723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085723

0 1
 S   -1.881100     -0.4575000      0.7403000    
 O  -0.2020000       2.216800      0.3503000    
 N    1.894800     -0.7175000     -0.4637000    
 N    2.926400      -1.331600      0.3088000    
 C   0.1822000       1.076800     -0.4212000    
 C    1.322200      0.3690000      0.3191000    
 C   -1.053600      0.2215000     -0.7328000    
 C   -3.188900      -1.377500     -0.1007000    
 H   0.5748000       1.465800      -1.369500    
 H   0.9720000      1.6600000E-02   1.298100    
 H    2.098600       1.115600      0.5378000    
 H   -1.790900      0.8439000      -1.252000    
 H  -0.7834000     -0.6040000      -1.398800    
 H    1.180600      -1.413900     -0.6714000    
 H  -0.8906000       2.689800     -0.1474000    
 H   -3.814300     -0.7009000     -0.6889000    
 H   -3.818300      -1.871200      0.6445000    
 H   -2.759000      -2.142400     -0.7526000    
 H    2.511600      -1.824600       1.099200    
 H    3.379400      -2.047000     -0.2586000    


%chk=000085723-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085723

0 1
S -1.891114 -0.387254 0.726136
O -0.115024 2.373773 0.370709
N 1.461765 -0.952193 -0.131848
N 2.766205 -1.475242 0.121074
C 0.204341 1.182808 -0.434735
C 1.249347 0.413002 0.403463
C -1.040066 0.357277 -0.801696
C -3.079826 -1.522222 -0.194069
H 0.670980 1.482123 -1.400266
H 0.905731 0.427116 1.461909
H 2.215496 0.938212 0.352524
H -1.779977 0.978492 -1.341441
H -0.727199 -0.478100 -1.453004
H 0.696329 -1.580115 0.169232
H -0.803192 2.912431 -0.095852
H -3.768455 -0.931472 -0.819910
H -3.656782 -2.063846 0.571714
H -2.525101 -2.242692 -0.817440
H 2.925420 -1.924080 1.032227
H 3.151623 -1.980317 -0.678227


