%chk=000131108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131108

0 1
 S    3.932300       1.635200     -0.6930000    
 O   -2.023000       1.900300       1.592200    
 N   -2.756900      0.5447000     -0.1522000    
 N   0.1065000       2.636200      0.1547000    
 C   -4.129900      0.3422000      0.3154000    
 C   -5.078400      0.1736000     -0.8790000    
 C   -4.201400     -0.8808000       1.239400    
 C   -4.862800      -1.142600      -1.627100    
 C   -3.983400      -2.199500      0.4963000    
 C   -4.938000      -2.342200     -0.6861000    
 C  -0.4972000       1.329700     -0.1491000    
 C   0.3721000      0.1634000      0.3632000    
 C   -1.828200       1.308500      0.5337000    
 C    1.818900      0.3717000      2.4300000E-02
 C    2.270600       1.612000     -0.3713000    
 C    1.394600       2.812700     -0.5415000    
 C    2.877500     -0.6002000      8.1799999E-02
 C    4.102400     -3.4499999E-02 -0.2928000    
 C    2.861500      -1.970200      0.4441000    
 C    5.289000     -0.7939000     -0.3175000    
 C    4.037000      -2.725200      0.4212000    
 C    5.237000      -2.141100      4.3200001E-02
 H   -4.421000       1.234000      0.8831000    
 H   -4.956900       1.009900      -1.578200    
 H   -6.114200      0.2094000     -0.5181000    
 H   -5.188100     -0.9055000       1.719300    
 H   -3.461200     -0.7946000       2.044100    
 H   -3.892500      -1.135400      -2.136600    
 H   -5.624200      -1.245000      -2.409000    
 H   -4.127400      -3.037800       1.187400    
 H   -2.947700      -2.257500      0.1399000    
 H   -5.964300      -2.445900     -0.3126000    
 H   -4.706500      -3.259600      -1.238800    
 H  -0.6386000       1.252400      -1.235400    
 H   -2.457700      4.2900000E-02 -0.9827000    
 H   1.5500000E-02 -0.7759000     -7.7100001E-02
 H   0.2801000      6.1099999E-02   1.452700    
 H   0.2690000       2.702500       1.160600    
 H    1.882900       3.710600     -0.1467000    
 H    1.207300       2.985400      -1.608000    
 H    1.930400      -2.445700      0.7431000    
 H    6.233700     -0.3446000     -0.6108000    
 H    4.008500      -3.774500      0.7009000    
 H    6.146300      -2.735900      2.8100001E-02


%chk=000131108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131108

0 1
S 4.102493 1.738031 -0.870512
O -1.909538 1.357683 1.749111
N -2.822490 0.474335 -0.201984
N 0.044655 2.478073 -0.032027
C -4.192577 0.322909 0.348582
C -5.223453 0.313226 -0.806044
C -4.315235 -0.960673 1.215513
C -5.157115 -0.982244 -1.654932
C -4.236821 -2.249574 0.365382
C -5.292781 -2.243416 -0.767226
C -0.418650 1.076630 -0.166758
C 0.570426 0.042016 0.465924
C -1.781850 0.984440 0.538672
C 1.995780 0.366560 0.064902
C 2.337396 1.608630 -0.430160
C 1.362921 2.749772 -0.644718
C 3.123153 -0.553817 0.145994
C 4.347109 0.020856 -0.325313
C 3.142536 -1.895140 0.615315
C 5.558143 -0.697451 -0.339356
C 4.348534 -2.622400 0.605731
C 5.550238 -2.029640 0.131150
H -4.360222 1.201075 1.000010
H -5.086160 1.209624 -1.441452
H -6.232434 0.390382 -0.355861
H -5.291227 -0.924018 1.741026
H -3.529349 -0.944391 1.991811
H -4.197634 -1.032519 -2.213704
H -5.954685 -0.962585 -2.421797
H -4.376552 -3.135893 1.013221
H -3.223028 -2.338653 -0.076954
H -6.307502 -2.261154 -0.317969
H -5.200365 -3.157094 -1.385456
H -0.516638 0.855260 -1.249280
H -2.656105 0.224157 -1.178372
H 0.301891 -0.984794 0.144982
H 0.457516 0.077067 1.568167
H -0.025768 2.776977 0.951008
H 1.754495 3.693466 -0.221345
H 1.235096 2.926548 -1.733561
H 2.220905 -2.356635 0.987729
H 6.484477 -0.241356 -0.703421
H 4.363578 -3.655810 0.969095
H 6.480439 -2.608164 0.129976


