%chk=000168074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168074

0 1
 S   -1.350700       1.647300      0.6979000    
 P   0.6056000       1.447500     -3.2900002E-02
 O    1.174300     -5.2600000E-02  0.1879000    
 O    1.511200       2.477000      0.5899000    
 N   -4.494900     -0.7038000     -0.2919000    
 C    2.448700     -0.4228000     -0.2979000    
 C    2.757500      -1.874100      3.0600000E-02
 C    3.564600      0.3240000      0.4152000    
 C    4.275000      -1.959600     -7.3299997E-02
 C    4.796400     -0.5447000      0.1908000    
 C   0.5653000       1.631700      -1.816000    
 C   -2.290600      0.3290000     -9.6900001E-02
 C   -3.744600      0.3673000      0.3570000    
 C   -5.902400     -0.6589000      0.1060000    
 C   -3.915300      -2.007400      3.3599999E-02
 H    2.501900     -0.2716000      -1.381500    
 H    2.251700      -2.568900     -0.6472000    
 H    2.425100      -2.120000       1.047000    
 H    3.349400      0.4209000       1.486400    
 H    3.716800       1.331800      1.8200001E-02
 H    4.570800      -2.281500      -1.078500    
 H    4.684100      -2.684400      0.6376000    
 H    5.466800     -0.5136000       1.055700    
 H    5.363800     -0.1903000     -0.6775000    
 H   7.7200003E-02   2.572500      -2.086500    
 H    1.576300       1.649300      -2.231500    
 H   1.3500000E-02  0.8099000      -2.280200    
 H   -2.219300      0.4461000      -1.183000    
 H   -1.784000     -0.5971000      0.1845000    
 H   -3.808200      0.2810000       1.450400    
 H   -4.183000       1.334300      7.7600002E-02
 H   -6.347600      0.3063000     -0.1605000    
 H   -6.478200      -1.424700     -0.4256000    
 H   -6.033200     -0.8138000       1.183100    
 H   -4.573300      -2.813700     -0.3136000    
 H   -2.969200      -2.177300     -0.4893000    
 H   -3.766400      -2.144700       1.110900    


%chk=000168074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168074

0 1
S -0.983537 2.495983 -0.043094
P 0.888139 2.179879 -1.372237
O 1.173204 0.451480 -1.382513
O 2.128901 3.078358 -0.918385
N -3.312757 -0.947958 0.354297
C 2.168876 -0.103190 -0.424727
C 2.621866 -1.483995 -0.930733
C 1.593984 -0.362601 0.995213
C 3.254742 -2.105865 0.337791
C 2.308578 -1.661616 1.500134
C 0.299265 2.376379 -3.125488
C -1.989245 0.950111 -0.542919
C -2.578701 0.285415 0.717616
C -4.407844 -1.276535 1.289365
C -2.425039 -2.101975 0.107714
H 3.024092 0.598825 -0.374954
H 3.312244 -1.418846 -1.788414
H 1.729786 -2.058469 -1.246545
H 0.503786 -0.523987 0.913296
H 1.749888 0.500225 1.664130
H 4.270618 -1.694263 0.490285
H 3.351788 -3.203007 0.264802
H 1.564527 -2.451491 1.710411
H 2.871682 -1.492447 2.434534
H -0.059065 3.408333 -3.258961
H 1.142203 2.172348 -3.804354
H -0.519739 1.667545 -3.319809
H -2.793336 1.264714 -1.225420
H -1.301033 0.264862 -1.065007
H -1.760148 0.097614 1.456018
H -3.288021 0.985499 1.195992
H -5.099256 -0.419582 1.371521
H -4.979874 -2.137916 0.899640
H -4.053484 -1.538071 2.318348
H -3.018658 -2.952479 -0.271928
H -1.669882 -1.853160 -0.657958
H -1.883451 -2.439719 1.028840


