%chk=000021247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021247

1 1
 S   -6.278100       3.231000      0.1159000    
 O   -1.975400      -3.414800      -1.853800    
 O    1.081800      -2.522700      -2.213000    
 O    1.752500      -4.264600     -0.8916000    
 O   -4.642300     -0.1072000       1.373700    
 O    5.995600       2.478500      -1.477500    
 N  -0.8499000      -2.273800     -0.1292000    
 N   -3.780700      -1.052000     -0.5631000    
 N    3.269500     -0.8907000      0.8800000    
 N    4.802600       3.770000      3.4200002E-02
 C   -1.603700      -1.380400      0.7412000    
 C   -2.874200      -1.993400      8.8200003E-02
 C   -1.188300      -1.647600       2.171900    
 C   -1.883500      -2.702300     -0.8815000    
 C   0.3280000      -1.399600       2.266900    
 C   0.4863000      -2.465300      8.6000003E-03
 C    1.121600      -2.025900       1.118900    
 C    2.600600      -2.102400       1.384400    
 C    1.181000      -3.203500      -1.053200    
 C   -4.600400     -0.1753000      0.1464000    
 C   -5.444400      0.7207000     -0.7379000    
 C    3.722500     -0.8804000     -0.3811000    
 C    3.401900      0.1622000       1.698300    
 C   -5.082300       2.155200     -0.4716000    
 C    4.355200      0.2477000     -0.8835000    
 C    4.026400       1.317300       1.249900    
 C    4.506700       1.356100     -5.5599999E-02
 C   -3.864300       2.776800     -0.6375000    
 C    5.165300       2.552700     -0.5542000    
 C   -3.913200       4.154500     -0.2773000    
 C   -5.166800       4.533300      0.1500000    
 C    5.349800       5.046100     -0.3670000    
 H   -1.447300     -0.3271000      0.4640000    
 H   -3.416100      -2.707300      0.7202000    
 H   -1.724900     -0.9909000       2.864800    
 H   -1.414400      -2.681700       2.461800    
 H   0.6769000      -1.792300       3.229000    
 H   0.5135000     -0.3186000       2.265000    
 H   -3.824100      -1.025000      -1.579000    
 H    3.070200      -2.968300      0.9055000    
 H    2.822700      -2.204300       2.453400    
 H   -5.282400      0.4991000      -1.798500    
 H   -6.496800      0.5069000     -0.5198000    
 H    3.592200      -1.775600     -0.9750000    
 H    3.017400      6.8200000E-02   2.706700    
 H    1.536400      -2.982600      -2.950800    
 H    4.717800      0.2453000      -1.906800    
 H    4.144100       2.140200       1.946700    
 H   -2.977700       2.272200      -1.000400    
 H   -3.071800       4.833100     -0.3292000    
 H   -5.483100       5.512500      0.4806000    
 H    4.059000       3.798800      0.7235000    
 H    5.353000       5.710300      0.5002000    
 H    4.710300       5.463000      -1.148900    
 H    6.365900       4.924000     -0.7503000    


%chk=000021247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021247

1 1
S -4.922254 3.065868 -1.281807
O -2.523650 -2.348899 -2.061906
O 0.080704 -1.618371 -2.845983
O 2.177148 -2.279320 -2.127942
O -3.964583 0.173479 2.346476
O 6.921347 2.580881 -0.689477
N -0.949235 -1.405674 -0.404158
N -3.986478 -0.324531 0.089323
N 3.562481 -0.894078 0.621044
N 6.138127 3.530526 1.297906
C -1.592667 -0.901198 0.862724
C -2.973150 -1.347949 0.278453
C -1.014809 -1.638761 2.067859
C -2.206403 -1.806651 -0.998253
C 0.530135 -1.512978 2.037774
C 0.414334 -1.720465 -0.496526
C 1.169292 -1.768498 0.670781
C 2.650225 -2.116377 0.684879
C 0.995076 -1.922117 -1.867923
C -4.456003 0.367223 1.190687
C -5.611446 1.356948 0.942325
C 4.137483 -0.533070 -0.579622
C 3.803361 -0.162185 1.759120
C -5.870849 1.735656 -0.491064
C 4.962184 0.594240 -0.654276
C 4.615010 0.978198 1.722547
C 5.207549 1.384299 0.497723
C -6.789704 1.201359 -1.386690
C 6.160969 2.556185 0.325754
C -6.764360 1.810964 -2.696140
C -5.825032 2.820638 -2.813455
C 7.029015 4.703746 1.242481
H -1.500127 0.193359 0.952672
H -3.375255 -2.215432 0.838224
H -1.428282 -1.221051 2.999887
H -1.299183 -2.706826 2.021371
H 0.964672 -2.218109 2.773892
H 0.815702 -0.495619 2.386719
H -4.400967 -0.159930 -0.833506
H 2.928252 -2.754342 -0.165136
H 2.899826 -2.633686 1.627542
H -6.520118 0.887992 1.366920
H -5.407436 2.238359 1.575749
H 3.900282 -1.170039 -1.435300
H 3.349410 -0.527842 2.682068
H 0.441118 -1.802778 -3.755835
H 5.448603 0.867892 -1.594612
H 4.800168 1.502546 2.663900
H -7.484027 0.402353 -1.110604
H -7.425539 1.515507 -3.513739
H -5.596607 3.452547 -3.669797
H 5.447537 3.494628 2.049420
H 7.639399 4.769982 2.159906
H 6.445819 5.634289 1.126803
H 7.693537 4.587212 0.373422


