%chk=000042631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042631

0 1
 S   -2.222000      -1.613100      0.4592000    
 O   0.4765000     -0.7116000      -1.234900    
 N  -0.5378000       2.061300     -0.1497000    
 N    1.642600      7.1300000E-02  0.6151000    
 N    2.819500     -0.5403000      0.2341000    
 C  -0.6811000      0.6951000      0.3607000    
 C   -2.019200      0.1088000     -9.9200003E-02
 C   0.5214000     -7.1599998E-02 -0.1853000    
 H  -0.6424000      0.7203000       1.456200    
 H   -2.853000      0.6973000      0.2987000    
 H   -2.100800      0.1114000      -1.192000    
 H  -0.5499000       2.059800      -1.168900    
 H   0.3623000       2.446700      0.1332000    
 H    1.641700      0.6206000       1.468700    
 H   -2.170800      -1.355700       1.774500    
 H    3.524300      0.1926000      0.1641000    
 H    3.108200      -1.134900       1.009700    


%chk=000042631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042631

0 1
S -1.630235 -1.409879 1.534845
O 1.577575 1.097201 -0.999415
N -0.912934 2.049008 -0.737715
N 1.358663 -0.516548 0.656748
N 2.651180 -1.078909 0.446301
C -0.570421 1.006134 0.224760
C -1.627951 -0.136162 0.109832
C 0.880307 0.535379 -0.096473
H -0.575540 1.375543 1.276428
H -2.630803 0.314689 0.066522
H -1.471883 -0.727857 -0.806401
H -0.138114 2.282249 -1.369161
H -1.456325 2.837870 -0.390152
H 0.736675 -1.025229 1.299989
H -2.033071 -0.522549 2.521024
H 3.379412 -0.420398 0.758351
H 2.782965 -1.302543 -0.551283


