%chk=000052958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052958

0 1
 S   -4.627400     -0.6375000     -0.1274000    
 S   -1.742900     -0.9537000      0.5111000    
 O    3.339700      0.8267000       1.711000    
 O   -5.395400     -9.9999997E-05  -1.192400    
 O   -4.565400      -2.094500     -6.4700000E-02
 O    1.618000       2.179700     -0.3863000    
 N    3.613500     -0.1630000     -0.4003000    
 N   0.6357000      0.1642000      0.3913000    
 N   -2.635300       1.158800     -0.6325000    
 N   -1.272500       1.355700     -0.4939000    
 N   -5.195800     -5.4900002E-02   1.377200    
 C    4.907300     -0.7737000     -0.2039000    
 C    5.681000     -0.8085000      -1.515500    
 C    4.755400      -2.170900      0.3847000    
 C    2.974600      0.5674000      0.5757000    
 C   -3.011200     -6.0999999E-03 -0.1491000    
 C    1.635400       1.076900      0.1340000    
 C  -0.7148000      0.3336000      8.1000000E-02
 H    5.465500     -0.1591000      0.5129000    
 H    3.136000     -0.3266000      -1.282500    
 H    6.678400      -1.236400      -1.370800    
 H    5.159000      -1.407100      -2.270500    
 H    5.801400      0.2018000      -1.921900    
 H    4.226000      -2.136600       1.343200    
 H    5.733400      -2.632300      0.5558000    
 H    4.181900      -2.822700     -0.2839000    
 H   0.8695000     -0.7173000      0.8409000    
 H   -6.212900      5.6600001E-02   1.476400    
 H   -4.758400     -0.4439000       2.222500    


%chk=000052958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052958

0 1
S -5.253336 -0.338287 0.710079
S -2.186841 -0.900391 1.499365
O 2.729922 -1.230797 1.350483
O -6.068602 -0.822207 -0.600792
O -5.367792 -1.084663 2.147654
O 1.370070 0.273786 -1.621821
N 3.846795 -0.391122 -0.545839
N 0.363976 -0.586914 0.367845
N -2.948933 0.179006 -0.837980
N -1.548048 0.126042 -0.935354
N -5.525905 1.431121 1.041343
C 5.231022 -0.709617 -0.116460
C 6.203373 0.308109 -0.742473
C 5.588302 -2.171061 -0.478184
C 2.749252 -0.681336 0.197315
C -3.403049 -0.293877 0.300629
C 1.423902 -0.261961 -0.489380
C -0.987902 -0.398304 0.165235
H 5.240166 -0.610912 0.985251
H 3.678658 0.039866 -1.463300
H 7.232830 0.101825 -0.402853
H 6.196423 0.239546 -1.847267
H 5.945505 1.342039 -0.452996
H 4.868348 -2.871491 -0.021647
H 6.596478 -2.417577 -0.099667
H 5.583608 -2.320225 -1.573376
H 0.715041 -1.021558 1.241644
H -5.844039 1.914424 0.187353
H -6.149523 1.533037 1.857295


