%chk=000154232.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154232

0 1
 S   -5.881500       1.538800      8.3800003E-02
 O   0.7954000      -2.282400      0.2092000    
 N   -3.473700      0.2218000      0.4404000    
 N    2.859300       1.952300     -0.2256000    
 C  -0.6653000     -0.4204000     -0.2512000    
 C   -1.811400      -1.436400     -0.2439000    
 C   0.6841000      -1.075700      4.8000002E-03
 C   -3.158500     -0.7979000     -0.5614000    
 C    1.907300     -0.2201000      8.5000005E-03
 C    3.131700     -0.7910000      0.2371000    
 C    1.792600       1.121700     -0.2157000    
 C    4.253000      3.1199999E-02  0.2346000    
 C    4.064900       1.383700      3.0000001E-04
 C   -4.498000      0.7743000      0.2791000    
 H  -0.8359000      0.3279000      0.5303000    
 H  -0.6360000      6.9300003E-02  -1.231100    
 H   -1.858600      -1.923400      0.7385000    
 H   -1.610700      -2.226400     -0.9781000    
 H   -3.926400      -1.583000     -0.5658000    
 H   -3.124000     -0.3578000      -1.567300    
 H    3.256600      -1.853700      0.4185000    
 H   0.8551000       1.630900     -0.4011000    
 H    5.243000     -0.3737000      0.4105000    
 H    4.907300       2.067600     -1.1900000E-02


%chk=000154232-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154232

0 1
S -4.660373 2.274740 1.392656
O 0.746714 -2.316220 0.330098
N -3.706401 0.056661 -0.104901
N 2.805441 2.036193 -0.330953
C -0.745492 -0.541902 -0.423685
C -1.865591 -1.594046 -0.350031
C 0.614831 -1.100594 0.002111
C -3.225697 -1.060219 -0.860730
C 1.803878 -0.180238 0.020393
C 3.068342 -0.696275 0.414656
C 1.732214 1.192827 -0.340343
C 4.185189 0.159789 0.432487
C 4.008471 1.513173 0.052703
C -4.111076 0.996895 0.531385
H -0.992483 0.330059 0.214990
H -0.654693 -0.141443 -1.455555
H -1.972143 -1.955962 0.687824
H -1.594754 -2.475060 -0.960194
H -3.978237 -1.872020 -0.815758
H -3.137053 -0.757769 -1.924386
H 3.137659 -1.752266 0.695743
H 0.786004 1.650915 -0.649622
H 5.173470 -0.202292 0.731684
H 4.852082 2.212652 0.051929


