%chk=000127100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127100

0 1
 S    3.853400      -1.013200      0.8157000    
 S    4.279000      0.8231000     -3.0000000E-03
 O   -2.794300      -3.349100      0.8589000    
 O    1.065100      -3.022500      0.6751000    
 O   -2.382500      -2.672400      -1.268000    
 O   -3.894800       2.430300      -1.189600    
 O   -3.489400       2.355900       1.041500    
 N  -0.1901000      -1.295800     -0.2396000    
 N    2.099600       1.766200       1.231600    
 C   -1.360100      -1.466000      0.5843000    
 C   -2.094500     -0.1463000      0.8499000    
 C   -2.661200      0.5637000     -0.3862000    
 C   0.9379000      -2.098200     -0.1234000    
 C   -2.225600      -2.527800     -6.2399998E-02
 C    2.007700      -1.716900      -1.135500    
 C    3.434500      -1.981300     -0.6666000    
 C   -3.365100       1.866300     -7.2400004E-02
 C    2.681400       1.615900      2.0500001E-02
 C    2.111700       2.034600      -1.171100    
 C   0.8648000       2.647500      -1.116200    
 C   0.2345000       2.820100      0.1112000    
 C   0.8881000       2.365900       1.245400    
 H   -1.016600      -1.865000       1.547400    
 H   -1.419400      0.5371000       1.377600    
 H   -2.924700     -0.3432000       1.541400    
 H   -3.390300     -8.8399999E-02 -0.8795000    
 H   -1.859300      0.7904000      -1.095300    
 H  -0.2264000     -0.6125000     -0.9897000    
 H    1.816900      -2.334200      -2.023000    
 H    1.885000     -0.6830000      -1.461800    
 H    3.543900      -3.038200     -0.4000000    
 H    4.154100      -1.779900      -1.467000    
 H   -3.341000      -4.046600      0.4383000    
 H   -4.366800       3.266300     -0.9880000    
 H    2.605800       1.897900      -2.127600    
 H   0.3847000       2.990200      -2.027800    
 H  -0.7334000       3.302100      0.1785000    
 H   0.4396000       2.477900       2.227000    


%chk=000127100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127100

0 1
S 3.464496 -1.194197 0.758669
S 4.046307 0.619402 -0.476383
O -2.462387 -3.413869 1.617925
O 0.328530 -3.563061 -0.060363
O -2.559017 -2.945488 -0.657630
O -4.864308 1.505256 -0.661217
O -2.868765 2.524231 -0.081124
N -0.145587 -1.292718 -0.094538
N 1.336733 1.405399 -0.418527
C -1.234860 -1.483151 0.874896
C -2.126118 -0.215955 0.978137
C -2.960953 0.062524 -0.300335
C 0.601584 -2.387780 -0.470639
C -2.098748 -2.692207 0.475385
C 1.792927 -2.119097 -1.386614
C 3.109606 -2.414464 -0.653640
C -3.511181 1.470972 -0.320319
C 2.635113 1.804841 -0.384391
C 3.026777 3.169589 -0.350900
C 2.025524 4.161606 -0.390845
C 0.670027 3.762370 -0.428482
C 0.374719 2.383648 -0.428250
H -0.822773 -1.708519 1.876947
H -1.476409 0.650738 1.201442
H -2.802126 -0.339447 1.843590
H -3.786820 -0.655029 -0.411926
H -2.314958 -0.064157 -1.192243
H 0.267855 -0.349882 -0.239099
H 1.709457 -2.809986 -2.247285
H 1.796338 -1.084508 -1.773567
H 3.066130 -3.396376 -0.147090
H 3.976591 -2.390046 -1.331701
H -3.033456 -4.181971 1.345612
H -5.176614 2.451436 -0.688193
H 4.085894 3.432765 -0.280871
H 2.301149 5.220993 -0.370847
H -0.148496 4.486723 -0.442276
H -0.669979 2.060314 -0.432708


