%chk=000128829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128829

0 1
 S  -0.2600000       2.639500      0.1101000    
 O    2.379800       1.320200       1.651700    
 O    5.269000      0.4735000     -0.7520000    
 O    3.215200      0.4036000      -1.738300    
 O   -2.751800       1.502500       1.284000    
 O   -1.489600       1.958300      -2.133200    
 N    2.212100     -0.7047000      0.5435000    
 C    3.635200     -0.8662000      0.2756000    
 C    3.789900      -2.327900     -0.1282000    
 C    1.454500      -1.866200      8.4399998E-02
 C    2.439100      -2.668200     -0.7530000    
 C   0.2404000      0.2759000       1.614300    
 C    1.708900      0.3554000       1.281500    
 C  -0.5735000      0.8658000      0.4476000    
 C    3.981200      6.1799999E-02 -0.8497000    
 C   7.1999999E-03  0.8897000       2.989900    
 C   -2.070000      0.6705000      0.6867000    
 C   -2.740800     -0.5563000      0.1683000    
 C   -1.258700       2.847200      -1.322700    
 C   -2.246900      -1.146400     -0.9734000    
 C   -3.828400      -1.052900      0.8508000    
 C   -1.804900       4.240300      -1.456600    
 C   -2.874100      -2.294000      -1.458400    
 C   -4.455400      -2.200600      0.3658000    
 C   -3.978200      -2.821100     -0.7888000    
 H    4.209800     -0.6007000       1.169400    
 H    4.621300      -2.509200     -0.8160000    
 H    3.940800      -2.945500      0.7655000    
 H    1.143700      -2.441200      0.9634000    
 H   0.5766000      -1.580400     -0.4912000    
 H    2.223600      -3.740400     -0.7429000    
 H    2.413200      -2.327400      -1.794900    
 H  -4.9800001E-02 -0.7738000       1.733100    
 H  -0.2505000      0.3904000     -0.4744000    
 H   0.2188000       1.963800       3.010200    
 H   0.6539000      0.4185000       3.739300    
 H   -1.027900      0.7462000       3.315600    
 H    5.515600       1.081300      -1.481400    
 H   -1.424200     -0.7545000      -1.556300    
 H   -4.206800     -0.5836000       1.753800    
 H  -0.9884000       4.962500      -1.543500    
 H   -2.438000       4.484100     -0.5988000    
 H   -2.416000       4.301900      -2.362300    
 H   -2.509400      -2.771900      -2.363000    
 H   -5.314600      -2.611900      0.8876000    
 H   -4.467800      -3.713500      -1.167400    


%chk=000128829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128829

0 1
S -1.200282 1.587589 0.166999
O 2.101149 1.648179 1.680191
O 4.862963 1.927482 -0.754253
O 2.692826 1.582422 -1.500183
O -2.180821 -1.176728 2.683022
O -0.183491 0.079692 -1.898074
N 2.376038 -0.382270 0.652331
C 3.714951 0.058616 0.204986
C 4.321735 -1.210990 -0.467777
C 2.065746 -1.773405 0.230730
C 3.079148 -2.023379 -0.909166
C 0.288149 0.007290 2.031159
C 1.632400 0.489815 1.433038
C -0.830866 -0.111045 0.954452
C 3.638051 1.248581 -0.758418
C -0.088468 0.934828 3.209201
C -2.110432 -0.802115 1.474901
C -3.249364 -1.088442 0.538275
C -0.491631 1.237276 -1.530194
C -3.107020 -1.135061 -0.874680
C -4.513885 -1.383591 1.119244
C -0.315244 2.480698 -2.363357
C -4.212699 -1.469633 -1.685569
C -5.619070 -1.700479 0.306404
C -5.470946 -1.745096 -1.101193
H 4.317559 0.402380 1.063310
H 4.998479 -0.959033 -1.300054
H 4.904610 -1.770209 0.285891
H 2.216501 -2.481806 1.071090
H 1.029113 -1.867334 -0.126823
H 3.297726 -3.095471 -1.046054
H 2.671820 -1.623304 -1.854162
H 0.426564 -1.022525 2.424563
H -0.478897 -0.681167 0.068851
H -0.219020 1.970651 2.854469
H 0.727035 0.949389 3.951983
H -1.008647 0.578829 3.694999
H 4.815658 2.699722 -1.379988
H -2.140058 -0.937047 -1.347568
H -4.601663 -1.360693 2.210381
H 0.762271 2.729748 -2.331850
H -0.894041 3.334259 -1.976687
H -0.588491 2.275094 -3.412322
H -4.092318 -1.515561 -2.773429
H -6.591101 -1.915487 0.763422
H -6.327936 -1.996268 -1.736386


