%chk=000121032.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121032

0 1
 S    2.148600      -2.283000     -0.9097000    
 S  -0.3023000      -3.841200     -0.4533000    
 O    4.233500       3.088800      8.2699999E-02
 N    1.908700      0.2258000      8.6099997E-02
 N   3.5300002E-02  -1.275800      0.5066000    
 C   0.8965000     -0.2108000       1.045200    
 C    2.587300       1.426200      0.5801000    
 C    2.872400     -0.8514000     -9.9299997E-02
 C   -1.343300      -1.229900       1.007800    
 C   0.5344000      -2.394900     -0.1878000    
 C   -2.133800     -0.1199000      0.3774000    
 C    3.613500       1.916300     -0.4290000    
 C   -3.160600      0.4852000       1.092600    
 C   -1.831300      0.2913000     -0.9154000    
 C   -3.895200       1.516200      0.5069000    
 C   -2.565800       1.322300      -1.501100    
 C   -3.597800       1.934700     -0.7899000    
 H   0.2615000      0.6440000       1.305900    
 H    1.338500     -0.5835000       1.979100    
 H    3.072500       1.252000       1.550200    
 H    1.859300       2.231200      0.7457000    
 H    3.684400     -0.5843000     -0.7757000    
 H    3.328300      -1.166100      0.8476000    
 H   -1.284300      -1.095300       2.095700    
 H   -1.891000      -2.158700      0.8379000    
 H    3.141800       2.162500      -1.386300    
 H    4.429100       1.212600     -0.6021000    
 H   -3.401400      0.1655000       2.102700    
 H   -1.047500     -0.1748000      -1.504500    
 H   -4.699200       1.992700       1.060300    
 H   -2.337200       1.645700      -2.512500    
 H   -4.170500       2.736700      -1.246500    
 H    4.867000       3.394500     -0.5888000    


%chk=000121032-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121032

0 1
S 2.737580 -2.215236 -0.506401
S 0.075084 -2.890120 -1.694536
O 2.423741 2.700813 -1.223638
N 2.350815 -0.066226 1.323345
N 0.309519 -1.280852 0.519001
C 1.028732 -0.549928 1.641537
C 2.503742 1.245566 0.655249
C 3.287152 -1.113997 1.051515
C -1.180072 -1.232534 0.649494
C 0.907484 -2.048406 -0.450796
C -1.776562 0.092045 0.192194
C 2.105116 1.315318 -0.835744
C -2.369047 0.982363 1.122023
C -1.756655 0.444064 -1.184101
C -2.931160 2.206940 0.690683
C -2.318501 1.665087 -1.614921
C -2.905340 2.551590 -0.679340
H 0.381646 0.300571 1.914301
H 1.087589 -1.248070 2.502317
H 3.561430 1.553844 0.743779
H 1.903428 1.988775 1.210925
H 4.278682 -0.724448 0.779563
H 3.356081 -1.826064 1.888249
H -1.423093 -1.416900 1.714690
H -1.573950 -2.071013 0.049006
H 1.025062 1.103856 -0.963842
H 2.687687 0.586015 -1.433171
H -2.405297 0.712123 2.185755
H -1.313605 -0.254130 -1.904606
H -3.388777 2.885786 1.418973
H -2.308527 1.923096 -2.680031
H -3.341924 3.498276 -1.016579
H 2.133340 2.856395 -2.156295


