%chk=000068132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068132

0 1
 S   1.2800000E-02  -1.303100      0.4120000    
 O   -2.433500     -0.4915000     -0.2423000    
 O   -1.415300      0.6247000       1.484500    
 N    2.535600     -0.4731000     -0.1847000    
 N    1.050600       1.169000     -1.0400000E-02
 C    1.234600     -0.1307000      5.8899999E-02
 C    3.225000      0.6820000     -0.4249000    
 C    3.117200      -1.796700     -0.1964000    
 C    2.287400       1.681500     -0.3123000    
 C   -3.587100      0.3431000     -9.0200000E-02
 C   -4.626400     -6.0699999E-02  -1.114100    
 C   -1.400900     -0.2445000      0.6200000    
 H    4.282900      0.6983000     -0.6476000    
 H    2.618100      -2.390500     -0.9661000    
 H    4.183700      -1.723900     -0.4256000    
 H    2.986000      -2.244500      0.7919000    
 H    2.440200       2.744000     -0.4328000    
 H   -3.995200      0.2211000      0.9193000    
 H   -3.302700       1.390000     -0.2444000    
 H   -5.523400      0.5584000      -1.026000    
 H   -4.226400      3.8400002E-02  -2.128700    
 H   -4.907300      -1.111000     -0.9844000    


%chk=000068132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068132

0 1
S 0.077328 0.012836 -1.906969
O -2.346695 -0.208141 -0.917727
O -0.763019 0.262407 0.747140
N 2.338251 -0.159564 -0.204225
N 2.157545 1.796441 -1.355866
C 1.581721 0.603603 -1.101322
C 3.446859 0.618469 0.137942
C 1.991699 -1.473634 0.352355
C 3.325108 1.810459 -0.585655
C -3.446842 -0.238832 0.111724
C -4.742923 -0.477250 -0.651773
C -1.080185 0.058471 -0.438874
H 4.195227 0.273108 0.846559
H 1.433223 -2.052853 -0.401443
H 2.912044 -2.021039 0.611305
H 1.361237 -1.357984 1.250448
H 3.996289 2.665590 -0.598893
H -3.217673 -1.046750 0.829839
H -3.435788 0.726415 0.648172
H -5.589720 -0.510422 0.057801
H -4.927835 0.333530 -1.376132
H -4.709951 -1.434561 -1.198707


