%chk=000045175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045175

0 1
 S   -2.481500       1.531100       1.475300    
 S   -2.418900      -1.822800       1.235700    
 O   0.3378000       1.782500       2.531400    
 O   0.4110000      -2.138300       2.241800    
 N   -1.022800       1.764700      0.6428000    
 N  -0.9585000      -1.877000      0.3778000    
 C   -3.375700      0.6210000      0.2258000    
 C   -3.353500     -0.7739000      0.1212000    
 C    1.377400       2.066400      0.4536000    
 C    1.450400      -2.053800      0.1464000    
 C   -4.130800       1.367100     -0.6843000    
 C   -4.078900      -1.415100     -0.8831000    
 C   -4.856100      0.7258000      -1.688700    
 C   -4.830100     -0.6652000      -1.788100    
 C   0.2099000       1.866900       1.297200    
 C   0.2561000      -2.022900       1.028700    
 C    2.631500       1.633600      0.8845000    
 C    2.576500      -2.727300      0.5724000    
 C    1.243400       2.691000     -0.7862000    
 C    1.395900      -1.407800      -1.071300    
 C    3.751500       1.825200      7.5499997E-02
 C    3.698300      -2.756100     -0.2562000    
 C    2.363300       2.882500      -1.595400    
 C    2.517600      -1.436600      -1.900000    
 C    3.617400       2.449700      -1.164500    
 C    3.668800      -2.110700      -1.492400    
 H   -4.167700       2.452900     -0.6292000    
 H   -4.074300      -2.498000     -0.9815000    
 H   -5.440900       1.309500      -2.393600    
 H   -5.394700      -1.164100      -2.570300    
 H    2.756500       1.138600       1.844100    
 H    2.614400      -3.238800       1.529500    
 H   0.2931000       3.072400      -1.147800    
 H   0.5349000     -0.8410000      -1.409800    
 H   -1.077300       1.782200     -0.3704000    
 H   -1.024100      -1.878200     -0.6348000    
 H    4.727500       1.485600      0.4097000    
 H    4.594600      -3.281100      6.0800001E-02
 H    2.260600       3.374600      -2.558200    
 H    2.498700     -0.9254000      -2.858200    
 H    4.489400       2.599000      -1.794400    
 H    4.543000      -2.130600      -2.136400    


%chk=000045175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045175

0 1
S -2.519111 1.786925 1.592513
S -0.541883 -0.711500 0.720671
O 0.450796 1.650458 2.500200
O 1.585300 -1.465575 -1.402288
N -1.139499 2.906503 1.323763
N -0.126000 -2.281945 -0.028456
C -2.677922 0.964381 -0.063419
C -1.863425 -0.133619 -0.444230
C 1.117679 3.808235 1.596129
C 1.202300 -3.867520 -1.352322
C -3.698622 1.426365 -0.928233
C -2.065146 -0.741008 -1.705028
C -3.911304 0.806141 -2.178428
C -3.085413 -0.275844 -2.562249
C 0.135627 2.692233 1.859985
C 0.922237 -2.438458 -0.947338
C 2.490686 3.460831 1.517657
C 2.499821 -4.156225 -1.848195
C 0.732309 5.167811 1.460665
C 0.234113 -4.904668 -1.291345
C 3.461985 4.455221 1.280849
C 2.833624 -5.465520 -2.250788
C 1.708462 6.163002 1.232460
C 0.568300 -6.214045 -1.702102
C 3.073709 5.808475 1.134155
C 1.869850 -6.499368 -2.175147
H -4.323592 2.266434 -0.606527
H -1.430595 -1.576507 -2.011635
H -4.703974 1.165349 -2.842468
H -3.228573 -0.758969 -3.535102
H 2.770717 2.410511 1.646979
H 3.223521 -3.337283 -1.913140
H -0.317203 5.464364 1.577198
H -0.792271 -4.697398 -0.964716
H -1.315561 3.719026 0.728316
H -0.543877 -3.105942 0.409767
H 4.519402 4.177736 1.212318
H 3.840287 -5.680883 -2.625014
H 1.405932 7.212029 1.141794
H -0.186339 -7.007035 -1.661430
H 3.829469 6.581136 0.954444
H 2.127883 -7.516254 -2.490863


