%chk=000065633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065633

0 1
 S  -0.1071000      -1.704900       1.045800    
 O   -4.385500      -2.156700      0.2887000    
 O   -2.112800       1.483800      -1.409900    
 O    2.883000     -0.7916000     -0.4140000    
 O  -9.6900001E-02   3.097900      0.6757000    
 O    1.783600       2.306700     -0.3576000    
 O    5.031100     -0.8684000      0.4105000    
 N   -1.176700      0.6515000      0.5937000    
 N    4.590600      -1.298400      -1.804900    
 C   -2.518500     -0.7290000     -0.1895000    
 C   -1.619000     -0.6725000       1.057800    
 C   -1.988900      0.6912000     -0.5034000    
 C   -4.021200     -0.8185000     -4.7200002E-02
 C   0.1844000      0.8168000      0.5768000    
 C   0.9113000     -0.2858000      0.8279000    
 C   -4.720700     -0.4208000      -1.341100    
 C    2.393300     -0.4528000      0.8729000    
 C   0.7329000       2.127400      0.2356000    
 C    4.237100     -0.9759000     -0.5180000    
 H   -2.168700      -1.444500     -0.9497000    
 H   -2.136500     -0.6206000       2.021500    
 H   -4.380600     -0.1687000      0.7591000    
 H   -4.360600      -1.023300      -2.182500    
 H   -5.798000     -0.6031000      -1.261300    
 H   -4.570900      0.6346000      -1.583400    
 H    2.668700      -1.233600       1.593300    
 H    2.868000      0.4766000       1.210200    
 H   -3.963600      -2.369100       1.138800    
 H   0.2399000       3.994600      0.4637000    
 H    3.895800      -1.375500      -2.540000    
 H    5.557400      -1.469300      -2.060200    


%chk=000065633-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065633

0 1
S 0.399278 -1.342571 -0.512094
O -3.945686 -2.520635 -0.128004
O -2.690901 2.030529 -0.967788
O 3.212349 -0.719137 -0.884881
O -0.473055 3.268717 1.342869
O 1.785736 3.013547 0.808030
O 4.350222 -1.306312 1.108990
N -1.114807 0.722613 0.389696
N 4.537370 -2.563322 -0.869122
C -2.535306 -0.547874 -0.608770
C -1.266937 -0.748102 0.281433
C -2.219544 0.984837 -0.503827
C -3.885311 -1.044762 -0.051452
C 0.236059 1.199135 0.415040
C 1.143136 0.260648 -0.044240
C -5.063173 -0.525630 -0.878978
C 2.630934 0.447330 -0.197848
C 0.615266 2.542587 0.854232
C 4.075790 -1.530385 -0.092386
H -2.405485 -0.915286 -1.640893
H -1.379621 -1.284210 1.237271
H -3.985251 -0.711936 1.005264
H -5.004325 -0.920885 -1.908390
H -6.014240 -0.862513 -0.434523
H -5.052990 0.576921 -0.924206
H 3.116849 0.576382 0.788886
H 2.855763 1.335656 -0.810378
H -3.334080 -2.918034 0.543358
H -0.165463 4.181812 1.591250
H 4.252333 -2.643592 -1.842326
H 5.175992 -3.237429 -0.456911


