%chk=000155636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155636

0 1
 S   0.2508000       2.678000      0.5356000    
 O   0.2411000       1.430800     -0.5313000    
 O    1.931700     -0.3917000      0.6032000    
 O   0.9762000      -2.847500       1.438700    
 O   0.7786000       3.946000     -0.3467000    
 O   -1.111400       2.959000      0.9499000    
 O    1.266200       2.391100       1.532200    
 O    2.336000      -1.292900      -1.501800    
 N    4.063400     -0.3968000     -0.2387000    
 C   -1.620300     -8.0399998E-02 -0.2929000    
 C   -2.104800      -1.339000      0.1359000    
 C  -0.2590000      0.2237000     -0.1286000    
 C   0.6120000     -0.6995000      0.4502000    
 C   -1.213700      -2.256500      0.7160000    
 C   0.1356000      -1.937500      0.8715000    
 C   -2.511100      0.8370000     -0.8735000    
 C   -3.466000      -1.643100     -2.8400000E-02
 C   -3.860400      0.5183000      -1.028700    
 C   -4.337000     -0.7193000     -0.6069000    
 C    2.751500     -0.7461000     -0.4843000    
 C    5.140700     -0.6335000      -1.171400    
 H   -1.578300      -3.226900       1.048500    
 H   -2.175200       1.805200      -1.236200    
 H   -3.860700      -2.604600      0.2935000    
 H   -4.538100       1.234900      -1.483700    
 H   -5.387400     -0.9673000     -0.7292000    
 H   0.4717000      -3.646700       1.667700    
 H    4.283200      5.2900001E-02  0.6446000    
 H    4.784100      -1.135400      -2.073800    
 H    5.892000      -1.252200     -0.6747000    
 H    5.582600      0.3309000      -1.433300    
 H    1.570700       3.768700     -0.9064000    


%chk=000155636-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155636

0 1
S 1.999378 2.981983 1.015401
O -0.572715 1.663510 -0.680297
O 1.520230 0.070913 -0.030199
O 1.092777 -2.539294 0.902360
O 1.822275 3.067640 -0.827243
O 1.890000 4.511493 1.580943
O 3.516732 2.327323 1.206367
O 2.591682 -1.638266 -1.359815
N 3.814577 -0.018346 -0.119662
C -2.193385 -0.113219 -0.397786
C -2.412329 -1.491624 -0.056094
C -0.820481 0.435738 -0.380718
C 0.283445 -0.483658 -0.016131
C -1.303277 -2.312802 0.353946
C 0.013289 -1.823012 0.396618
C -3.286270 0.709164 -0.755595
C -3.741437 -2.008815 -0.092340
C -4.596216 0.180205 -0.787377
C -4.821139 -1.180657 -0.456007
C 2.744491 -0.679209 -0.588226
C 5.174054 -0.383288 -0.542392
H -1.504831 -3.344663 0.671010
H -3.089107 1.755805 -1.008300
H -3.917550 -3.058842 0.168231
H -5.437496 0.820797 -1.069958
H -5.836986 -1.587946 -0.481530
H 0.912642 -3.509575 0.960058
H 3.675191 0.871575 0.441033
H 5.186656 -1.417097 -0.922464
H 5.854318 -0.301094 0.321666
H 5.532599 0.294175 -1.339127
H 0.953583 2.560688 -0.989374


