%chk=000016741.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016741

0 1
 S   -4.389800       1.041000      0.7223000    
 N   -2.020900      0.1353000     -0.3836000    
 C  -0.2878000      -1.577300     -0.6618000    
 C   0.8375000     -0.6672000     -0.3016000    
 C   -1.612600      -1.213400      1.8500000E-02
 C    1.082100      0.4751000      -1.064000    
 C    1.645300     -0.9579000      0.7980000    
 C    2.134300       1.326600     -0.7271000    
 C    2.697500     -0.1063000       1.134900    
 C    2.941900       1.035900      0.3723000    
 C   -3.027400      0.5083000      9.2100002E-02
 H  -0.4238000      -1.575000      -1.751500    
 H  -2.4000000E-02  -2.610800     -0.4026000    
 H   -2.371700      -1.949700     -0.2774000    
 H   -1.493100      -1.271500       1.109300    
 H   0.4629000      0.7130000      -1.924900    
 H    1.463900      -1.843400       1.401300    
 H    2.325000       2.215600      -1.321100    
 H    3.326100     -0.3321000       1.991200    
 H    3.761100       1.698900      0.6347000    


%chk=000016741-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016741

0 1
S -3.583504 2.185697 -0.390060
N -2.259830 -0.295049 0.021020
C -0.309913 -1.706007 -0.641413
C 0.793298 -0.720173 -0.292927
C -1.595661 -1.537810 0.231224
C 0.833490 0.567083 -0.887782
C 1.789381 -1.061259 0.657573
C 1.840891 1.493207 -0.535488
C 2.800381 -0.138701 1.010295
C 2.827879 1.143231 0.414568
C -2.822747 0.755365 -0.154413
H -0.597738 -1.617354 -1.705229
H 0.037264 -2.744140 -0.483551
H -2.294478 -2.366208 -0.002036
H -1.320100 -1.629478 1.300802
H 0.077137 0.848276 -1.629930
H 1.778397 -2.055970 1.120728
H 1.855724 2.484328 -1.001722
H 3.565545 -0.419828 1.742326
H 3.611083 1.859891 0.685015


