%chk=000059807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059807

0 1
 S   -2.960200      0.9105000      0.1977000    
 O    1.720900      0.2914000       1.381900    
 O   -3.459200      -1.615200     -0.4034000    
 N   0.9793000      0.9342000     -0.7211000    
 N    5.392400      -1.037600     -0.2767000    
 C  -0.3077000       1.428000     -0.2931000    
 C    3.167500     -4.6700001E-02 -0.5307000    
 C   -1.334500      0.3032000     -0.3382000    
 C    1.897000      0.3995000      0.1713000    
 C    4.186800     -0.6372000      0.4378000    
 C   -3.919100     -0.5539000      1.9999999E-04
 C   -5.363200     -0.3762000      0.3743000    
 H  -0.5811000       2.239800     -0.9760000    
 H  -0.2147000       1.840100      0.7181000    
 H    2.893100     -0.7881000      -1.291600    
 H    3.594700      0.8226000      -1.046100    
 H    1.206100      0.9764000      -1.710500    
 H   -1.027000     -0.5201000      0.3161000    
 H   -1.413200     -9.1399997E-02  -1.357500    
 H    3.762300      -1.505800      0.9539000    
 H    4.451900      9.9799998E-02   1.204000    
 H    5.160800      -1.747100     -0.9708000    
 H    6.041400      -1.476700      0.3749000    
 H   -5.829800      0.3802000     -0.2628000    
 H   -5.450500     -9.2000000E-02   1.426700    
 H   -5.892500      -1.322800      0.2288000    


%chk=000059807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059807

0 1
S -2.888241 0.351849 1.308402
O 1.914654 1.194484 1.026033
O -3.371570 -0.808374 -1.132651
N 0.736543 0.306516 -0.766037
N 5.488318 -0.810682 -0.347328
C -0.566902 0.783566 -0.277394
C 3.195645 0.048638 -0.737280
C -1.183769 -0.216486 0.724348
C 1.913980 0.559427 -0.074119
C 4.199290 -0.502934 0.300094
C -3.885840 -0.223816 -0.151645
C -5.363355 0.091627 -0.019121
H -1.243633 0.918283 -1.137885
H -0.411784 1.756365 0.219416
H 2.969700 -0.717083 -1.506621
H 3.690054 0.892836 -1.254932
H 0.770343 -0.241225 -1.626945
H -0.564836 -0.300850 1.631139
H -1.326293 -1.205555 0.258071
H 3.735728 -1.369490 0.829350
H 4.359380 0.282155 1.058943
H 5.465560 -1.613739 -0.983151
H 6.286414 -0.849815 0.291955
H -5.607629 0.565261 0.944554
H -5.944791 -0.841332 -0.128370
H -5.665468 0.765273 -0.841626


