%chk=000112815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112815

0 1
 S   0.6125000     -0.7878000      0.4063000    
 S    5.086000      7.1300000E-02 -0.1448000    
 O    1.190400      8.4399998E-02   1.417400    
 O   0.7666000      -2.230700      0.5192000    
 O    3.459500      0.1806000     -0.2622000    
 O  -0.6462000       1.947100      0.3036000    
 O   -5.145100      0.4429000     -3.7000000E-03
 O    5.432100      0.9367000       1.194100    
 O    5.411700      -1.315000      0.1347000    
 O    5.686700      0.7464000      -1.280100    
 N   -4.302400      -2.240600      6.9399998E-02
 C    1.279400     -0.3151000      -1.172400    
 C   -1.091500     -0.4111000      0.2849000    
 C    2.771200     -0.5743000      -1.251200    
 C   -1.531000      0.9123000      0.2471000    
 C   -2.015200      -1.454700      0.2256000    
 C   -3.378300      -1.174800      0.1286000    
 C   -2.894000       1.192100      0.1501000    
 C   -3.817600      0.1486000      9.0800002E-02
 C   -1.187800       3.265500      0.2587000    
 C   -5.686900      0.5761000      -1.315900    
 H   0.7499000     -0.8826000      -1.943300    
 H    1.081600      0.7524000      -1.304100    
 H    2.982200      -1.638500      -1.099800    
 H    3.142600     -0.2862000      -2.240500    
 H   -1.690200      -2.491400      0.2516000    
 H   -3.302600       2.196600      0.1177000    
 H   -5.293300      -2.046100      1.4900000E-02
 H   -3.976200      -3.197400      0.1002000    
 H   -1.823700       3.471700       1.126300    
 H   -1.697300       3.461500     -0.6910000    
 H  -0.3436000       3.961000      0.3134000    
 H   -5.219700       1.417000      -1.838100    
 H   -6.758500      0.7734000      -1.225400    
 H   -5.548600     -0.3451000      -1.890600    
 H    4.998700       1.820700       1.248200    


%chk=000112815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112815

0 1
S 0.833767 -0.810451 -0.015622
S 4.775603 0.361668 0.580597
O 1.346108 0.075324 1.295379
O 1.089526 -2.422238 0.006310
O 3.774633 0.856594 -0.978669
O -0.609816 1.796401 -0.567465
O -5.159618 -0.180084 -0.079834
O 3.662280 0.867153 1.815289
O 4.932390 -1.245130 0.508625
O 6.043028 1.329349 0.610061
N -4.088143 -2.601309 0.220295
C 1.625529 -0.120756 -1.661392
C -1.007785 -0.534694 -0.149719
C 3.143205 -0.269626 -1.672124
C -1.525983 0.761945 -0.332951
C -1.811954 -1.673581 0.031519
C -3.218097 -1.534787 0.044686
C -2.935490 0.913347 -0.316236
C -3.758688 -0.214496 -0.123663
C -1.051076 3.176662 -0.327959
C -5.825616 1.118248 -0.213680
H 1.129964 -0.751230 -2.418976
H 1.277432 0.922352 -1.694251
H 3.477534 -1.242800 -1.250752
H 3.483887 -0.229869 -2.726176
H -1.328594 -2.647126 0.173175
H -3.376745 1.902318 -0.462231
H -5.088630 -2.423931 0.236539
H -3.740420 -3.542068 0.375396
H -1.498428 3.274651 0.678249
H -1.770259 3.505815 -1.102603
H -0.136654 3.783511 -0.390879
H -5.519283 1.805898 0.597451
H -6.900422 0.902451 -0.131656
H -5.610814 1.574464 -1.198927
H 2.669028 0.482922 1.581893


