%chk=000125014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125014

0 1
 S   -1.962900       2.060700      -1.215200    
 O    1.719200     -0.5018000     -0.9714000    
 O    2.068100       2.563300     -9.0099998E-02
 O    3.660500       1.115300       1.583200    
 O    3.883700      -2.303700      -1.181300    
 O   -4.664500      0.6798000     -0.3098000    
 N  -0.4758000      9.8000001E-03 -0.2267000    
 N   -1.915700      -1.442100      0.6510000    
 N   -4.718900      -1.319200      0.7840000    
 C    1.489000       1.392600      0.4838000    
 C    2.557700      0.4503000       1.005200    
 C   0.8188000      0.5699000     -0.6179000    
 C    2.945500     -0.3208000     -0.2446000    
 C    3.573700      -1.671500      4.8300002E-02
 C   -1.721200      0.5442000     -0.4233000    
 C  -0.6471000      -1.184200      0.4226000    
 C   -2.590700     -0.3687000      0.1256000    
 C   -4.019500     -0.2738000      0.1766000    
 H   0.8101000       1.724900       1.275700    
 H    2.113400     -0.2203000       1.750900    
 H   0.6721000       1.142100      -1.538600    
 H    3.621400      0.2635000     -0.8823000    
 H    2.887000      -2.325500      0.5953000    
 H    4.497200      -1.567700      0.6247000    
 H    1.341100       3.110000     -0.4334000    
 H    4.307600      0.4402000       1.848100    
 H   0.1784000      -1.821300      0.7093000    
 H    3.056000      -2.388500      -1.684800    
 H  -0.7842000       2.642600     -0.9581000    
 H   -4.245400      -2.121900       1.186500    
 H   -5.731800      -1.305700      0.8401000    


%chk=000125014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125014

0 1
S -1.796830 2.316154 -0.617735
O 1.645872 -0.865692 -0.575759
O 1.089887 2.396122 0.990082
O 3.467285 2.023155 0.135934
O 3.866130 -2.656819 -0.931132
O -4.775917 1.019919 -0.372366
N -0.578519 -0.211918 -0.119243
N -2.290021 -1.641538 0.249639
N -5.017609 -1.208258 0.309267
C 1.424296 0.986656 0.906579
C 2.958361 0.756996 0.691815
C 0.775108 0.287949 -0.329087
C 3.046590 -0.403569 -0.338984
C 3.835301 -1.634557 0.110323
C -1.759633 0.552131 -0.236433
C -0.957073 -1.527265 0.190039
C -2.806797 -0.354277 -0.017227
C -4.269534 -0.099648 -0.047515
H 1.074099 0.492698 1.828022
H 3.467351 0.521297 1.645277
H 0.769171 0.987604 -1.192337
H 3.450038 -0.008607 -1.292415
H 3.402467 -2.029800 1.055202
H 4.892066 -1.366244 0.284264
H 1.874171 2.890229 0.607108
H 4.426859 2.146589 0.328218
H -0.232131 -2.322158 0.328435
H 2.931861 -2.862691 -1.192755
H -0.621125 2.614126 0.099506
H -4.535819 -2.080261 0.534337
H -6.033104 -1.145824 0.302340


