%chk=000048208.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048208

0 1
 S   -1.108600     -0.9316000     -0.7485000    
 O   -2.443200     -0.7709000      -1.239700    
 O   3.1300001E-02  -1.122600      -1.592600    
 O   0.6815000      0.3852000       2.135700    
 N    1.794700      0.2562000      0.1359000    
 C  -0.7542000      0.5992000      0.2104000    
 C   -1.927500      0.7430000       1.220100    
 C  -0.7924000       1.759800     -0.8221000    
 C   0.6314000      0.4023000      0.8970000    
 C   -1.097500      -2.140600      0.5338000    
 C   -1.838000       1.944100       2.156100    
 C   -2.153000       2.023800      -1.460400    
 C    2.043200      0.7606000      -1.208600    
 C    2.893600     -0.5391000      0.6799000    
 C   -1.371600      -3.525700     -7.6000001E-03
 C    2.645100       2.155100      -1.169300    
 C    2.765200      -1.999000      0.2798000    
 H   -2.913700      0.7185000      0.7482000    
 H   -1.926800     -0.1054000       1.909500    
 H  -0.1539000       1.672300      -1.684300    
 H  -0.4704000       2.676700     -0.3120000    
 H   -1.903900      -1.927500       1.234900    
 H  -0.1494000      -2.119200       1.065000    
 H   -1.880500       2.882900       1.596000    
 H  -0.9352000       1.955100       2.768900    
 H   -2.691900       1.938100       2.842600    
 H   -2.409800       1.301900      -2.237700    
 H   -2.103300       2.990300      -1.979100    
 H   -2.974800       2.118200     -0.7497000    
 H    2.798100      0.1073000      -1.668700    
 H    1.233600      0.6886000      -1.912400    
 H    3.849700     -0.1251000      0.3406000    
 H    2.890600     -0.4754000       1.773500    
 H   -1.382600      -4.258800      0.8050000    
 H   -2.339000      -3.569100     -0.5185000    
 H  -0.6015000      -3.826000     -0.7256000    
 H    1.961000       2.871500     -0.7049000    
 H    3.578100       2.169800     -0.5961000    
 H    2.866800       2.502000      -2.183400    
 H    1.893500      -2.467700      0.7377000    
 H    2.685500      -2.119300     -0.8049000    
 H    3.646500      -2.554900      0.6160000    


%chk=000048208-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048208

0 1
S -1.485864 -0.926168 -0.881168
O -3.126478 -0.957255 -0.866301
O -0.724324 -0.864940 -2.341880
O 0.496349 -0.162069 2.120351
N 1.737674 0.264871 0.223463
C -0.816228 0.708491 0.273483
C -1.912497 0.815006 1.345438
C -0.784143 1.875410 -0.733048
C 0.523063 0.234652 0.901016
C -0.886635 -2.553448 0.015235
C -1.729568 2.048306 2.265619
C -2.164358 2.393892 -1.197196
C 1.997067 0.395111 -1.238039
C 2.939597 -0.086501 1.035901
C -1.592307 -3.737510 -0.637549
C 2.608381 1.753048 -1.641461
C 3.168851 -1.609743 1.134630
H -2.894146 0.849285 0.840752
H -1.894300 -0.087885 1.979931
H -0.217599 1.584995 -1.632021
H -0.213148 2.696740 -0.252822
H -1.150788 -2.393204 1.072518
H 0.205653 -2.534120 -0.122367
H -1.721131 2.995958 1.697818
H -0.791456 1.967006 2.839619
H -2.567285 2.096623 2.984201
H -2.768741 1.586109 -1.646146
H -2.019987 3.175008 -1.965152
H -2.748728 2.836991 -0.372702
H 2.710648 -0.411708 -1.500606
H 1.081477 0.167997 -1.807583
H 3.808610 0.406863 0.563892
H 2.804814 0.330413 2.047180
H -1.298622 -4.667108 -0.115351
H -2.688239 -3.630167 -0.566797
H -1.315693 -3.834252 -1.701374
H 1.913802 2.585998 -1.441326
H 3.549388 1.956267 -1.098160
H 2.837792 1.748921 -2.722701
H 2.331879 -2.083680 1.674186
H 3.264026 -2.071794 0.134343
H 4.099893 -1.817806 1.692673


