%chk=000040380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040380

0 1
 S  -0.4018000       1.769300     -0.1409000    
 N   -1.829200     -0.3550000      0.2224000    
 C    1.820000      0.1726000     -0.5768000    
 C   0.3779000      0.2472000     -0.2685000    
 C  -0.5362000     -0.7610000     -4.5100000E-02
 C    2.698400      0.1792000      0.6786000    
 C  -0.2533000      -2.210700     -6.7299999E-02
 C   -1.875800      0.9584000      0.1977000    
 H    2.030600     -0.7412000      -1.145800    
 H    2.122700       1.004200      -1.225200    
 H    2.559100       1.100400       1.254100    
 H    3.754500      0.1073000      0.4001000    
 H    2.458800     -0.6665000       1.331900    
 H   -1.141700      -2.791100      0.2018000    
 H   6.3699998E-02  -2.526100      -1.066300    
 H   0.5390000      -2.462800      0.6446000    
 H   -2.790900       1.505000      0.3801000    


%chk=000040380-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040380

0 1
S -0.295516 1.789045 0.150729
N -1.876153 -0.351918 0.193110
C 1.884681 -0.016768 -0.451176
C 0.413432 0.148485 -0.168990
C -0.578909 -0.827831 -0.099523
C 2.805235 0.474263 0.697828
C -0.380320 -2.311507 -0.312723
C -1.907628 0.956427 0.349479
H 2.075341 -1.089216 -0.642170
H 2.155252 0.518001 -1.383524
H 2.672631 1.556519 0.876659
H 3.866361 0.295526 0.446129
H 2.575650 -0.054601 1.639585
H -1.333570 -2.828484 -0.120483
H -0.067769 -2.540150 -1.348385
H 0.384511 -2.729081 0.367090
H -2.797427 1.540489 0.581764


